SCHEMBL3974839

SCHEMBL3974839

COC(=O)c1cc2c(C)noc2c(F)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.41
SMC2 O95347 1/20 0.41
EGFR P00533 1/20 0.41
CSNK2A2 P19784 1/20 0.41
MAP2K2 P36507 1/20 0.41
SMC1A Q14683 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
FTO Q9C0B1 5/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SRC P12931 1/20 0.36
CSF1R P07333 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL3977728 0.90 CSF1R (0.41) MAP2K1MAPTGAAFTOHTT
SCHEMBL1343327 0.90 FTO (0.46) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3975021 0.89 MAP2K1 (0.43) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3977778 0.87 FTO (0.43) MAPTFTOPOLBCSF1RSMN1; SMN2
SCHEMBL3974354 0.85 MAP2K1 (0.42) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL13841957 0.84 MAP2K1 (0.62) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3425429 0.82 MAP2K1 (0.47) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3979551 0.82 MAP2K1 (0.53) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL1343123 0.81 BRD4 (0.45) MAPTGAAFTOKDM4EPOLB
SCHEMBL1341800 0.80 MAP2K1 (0.47) MAP2K1MAP2K2KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
EP-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
US-7144907-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-12-05 US disclosed
US-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 US disclosed
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. 2005-03-03 US 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 (6 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-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 94/4885SMC2 4084/4885EGFR 228/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885SMC2 4031/4885EGFR 201/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885SMC2 4221/4885EGFR 203/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885SMC2 4031/4885EGFR 201/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 MAP2K1 4674/4885SMC2 4878/4885EGFR 4828/4885
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK NRAS, BRAF, RAF1 MAP2K1 42/4885SMC2 3210/4885EGFR 266/4885

“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.