SCHEMBL4863465

SCHEMBL4863465

Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOCCC(C)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.60
MAP2K2 P36507 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAP2K5 Q13163 1/20 0.46
EIF2AK1 Q9BQI3 1/20 0.46
PIM1 P11309 1/20 0.44
CAMK2B Q13554 1/20 0.44
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4851711 0.91 MAP2K1 (0.59) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4858026 0.91 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL4851949 0.90 MAP2K1 (0.60) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4862262 0.90 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4859671 0.89 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL7052404 0.89 MAP2K1 (0.49) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4862914 0.89 MAP2K1 (0.53) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4857251 0.89 MAP2K1 (0.74) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL6229824 0.88 MAP2K1 (0.64) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4860649 0.88 MAP2K1 (0.64) MAP2K1MAP2K2MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
US-7462619-B2 Pyridazine, pyrimidine and pyrazine ethyne compounds MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-7365074-B2 Pyridazine, pyrimidine and pyrazine ethyne compounds MERCK & CO., INC. (US) 2008-04-29 US disclosed
US-20050245542-A1 Pyridazine, pyrimidine and pyrazine ethyne compounds MERCK SHARP & DOHME CORP. 2005-11-03 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
CN-1219753-C Oxygenated esters of 4-iodophenylamino phenoxy hydroxamic acid WARNER LAMBERT CO (US) 2005-09-21 CN disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20050085523-A1 Imidazolyl and pyrazolyl ethyne compounds COSFORD NICHOLAS D (US) 2005-04-21 US disclosed
US-20050043307-A1 Pyridazine, pyrimidine and pyrazine ethyne compounds MERCK SHARP & DOHME CORP. 2005-02-24 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 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 (5 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-20050043307-A1 Pyridazine, pyrimidine and pyrazine ethyne compounds CBR3, P2RX5, CBR1 MAP2K1 652/4885MAP2K2 385/4885MEN1 3135/4885
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAP2K1 4341/4885MAP2K2 4268/4885MEN1 4211/4885
US-20050085523-A1 Imidazolyl and pyrazolyl ethyne compounds CBR3, CBR1, CHRM3 MAP2K1 733/4885MAP2K2 522/4885MEN1 2468/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAP2K1 4312/4885MAP2K2 4025/4885MEN1 3335/4885
US-20050245542-A1 Pyridazine, pyrimidine and pyrazine ethyne compounds P2RX5, P2RY12, P2RY4 MAP2K1 1622/4885MAP2K2 977/4885MEN1 2671/4885

“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.