SCHEMBL4852779

SCHEMBL4852779

CC1(C)OC[C@H](CONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.62
MAP2K2 P36507 10/20 0.62
PIM1 P11309 1/20 0.61
CAMK2B Q13554 1/20 0.61
BRAF P15056 1/20 0.61
MAPK1 P28482 1/20 0.61
MAP2K5 Q13163 1/20 0.61
RAF1 P04049 1/20 0.59
PDGFRB P09619 1/20 0.59
CSNK2A2 P19784 1/20 0.59
CSNK2B P67870 1/20 0.59
CSNK2A1 P68400 1/20 0.59
CSNK2A3 Q8NEV1 1/20 0.59
AURKC Q9UQB9 1/20 0.59
CAMK2A Q9UQM7 1/20 0.59
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4851889 1.00 MAP2K1 (0.62) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL30584462 1.00 MAP2K1 (0.62) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL5989619 0.89 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL5989612 0.89 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL23651905 0.89 MAP2K1 (0.49) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL26249791 0.88 MAP2K1 (0.53) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL24925752 0.86 MAP2K1 (0.52) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL2025095 0.86 MAP2K1 (0.49) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL2025366 0.86 MAP2K1 (0.49) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL29308283 0.86 PIM1 (0.46) MAP2K1MAP2K2PIM1CAMK2BBRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006134469-A1 METHODS OF PREPARING MEK INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2006-12-21 WO claimed
US-7060856-B2 Polymorphic form of N-[(R)-2,3-dihydroxy-propoxy]-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide WARNER-LAMBERT COMPANY (US) 2006-06-13 US claimed
US-12037306-B2 Methods of treating neurofibromatosis type 1 with N-((R))-2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide WARNER-LAMBERT COMPANY LLC (US) 2024-07-16 US disclosed
US-20240216307-A1 DISPERSIBLE FORMULATIONS OF N-((R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2- FLUORO-4-IODO-PHENYLAMINO)-BENAZMIDE AND USES THEREOF SPRINGWORKS THERAPEUTICS, INC. 2024-07-04 US disclosed
US-20240216307-A1 DISPERSIBLE FORMULATIONS OF N-((R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2- FLUORO-4-IODO-PHENYLAMINO)-BENAZMIDE AND USES THEREOF SPRINGWORKS THERAPEUTICS, INC. 2024-07-04 US disclosed
WO-2023209611-A1 METHODS OF TREATING CANCER WITH A B-RAF INHIBITOR, IN PARTICULAR LIFIRAFENIB BEIGENE SWITZERLAND GMBH (CH) 2023-11-02 WO disclosed
WO-2023212071-A1 COMBINATION AND THE USE THEREOF BEIGENE SWITZERLAND GMBH (CH) 2023-11-02 WO disclosed
US-20230330047-A1 DISPERSIBLE FORMULATIONS OF N-((R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2- FLUORO-4-IODO-PHENYLAMINO)-BENAZMIDE AND USES THEREOF SPRINGWORKS THERAPEUTICS, INC. (US) 2023-10-19 US disclosed
US-11571402-B2 Dispersible formulations of N-((R)-2,3-dihydroxypropoly)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide and uses thereof SPRINGWORKS THERAPEUTICS, INC. (US) 2023-02-07 US disclosed
US-20230032403-A1 CRYSTALLINE SOLIDS OF MEK INHIBITOR N-((R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODO--PHENYLAMINO)-BENZAMIDE AND USES THEREOF SpringWorks Therapeutics Inc. (US) 2023-02-02 US disclosed
WO-2022177557-A1 CRYSTALLINE SOLIDS OF MEK INHIBITOR N-((R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-BENZAMIDE AND USES THEREOF SPRINGWORKS THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
EP-1682495-A1 POLYMORPHIC FORM OF N- (R)-2,3-DIHYDROXY-PROPOXY -3,4-D IFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-BENZAMIDE Warner-Lambert Company LLC (US) 2006-07-26 EP disclosed
US-7060856-B2 Polymorphic form of N-[(R)-2,3-dihydroxy-propoxy]-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide WARNER-LAMBERT COMPANY (US) 2006-06-13 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
WO-2005040098-A1 POLYMORPHIC FORM OF N-[(R)-2,3-DIHYDROXY-PROPOXY]-3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-BENZAMIDE WARNER-LAMBERT COMPANY LLC (US) 2005-05-06 WO disclosed
US-20050085550-A1 Polymorphic form of N-[(R)-2,3-dihydroxy-propoxy]-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide WARNER-LAMBERT COMPANY 2005-04-21 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050085550-A1 Polymorphic form of N-[(R)-2,3-dihydroxy-propoxy]-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide HLA-DRB1, UGT1A3, BBC3 MAP2K1 4611/4885MAP2K2 4300/4885PIM1 4150/4885
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAP2K1 4341/4885MAP2K2 4268/4885PIM1 1919/4885
US-12037306-B2 Methods of treating neurofibromatosis type 1 with N-((R))-2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide VHL, NRAS, KRAS MAP2K1 3438/4885MAP2K2 3378/4885PIM1 3279/4885
US-20230330047-A1 DISPERSIBLE FORMULATIONS OF N-((R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2- FLUORO-4-IODO-PHENYLAMINO)-BENAZMIDE AND USES THEREOF QDPR, DHFR, NEFM MAP2K1 4337/4885MAP2K2 3323/4885PIM1 1827/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAP2K1 4312/4885MAP2K2 4025/4885PIM1 2425/4885
US-20230032403-A1 CRYSTALLINE SOLIDS OF MEK INHIBITOR N-((R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODO--PHENYLAMINO)-BENZAMIDE AND USES THEREOF NRAS, BRAF, KSR2 MAP2K1 36/4885MAP2K2 19/4885PIM1 928/4885
US-11571402-B2 Dispersible formulations of N-((R)-2,3-dihydroxypropoly)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide and uses thereof FLNA, QDPR, DUT MAP2K1 4460/4885MAP2K2 3808/4885PIM1 3602/4885
US-20240216307-A1 DISPERSIBLE FORMULATIONS OF N-((R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2- FLUORO-4-IODO-PHENYLAMINO)-BENAZMIDE AND USES THEREOF QDPR, DHFR, NEFM MAP2K1 4337/4885MAP2K2 3323/4885PIM1 1827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.