SCHEMBL5953391

SCHEMBL5953391

OCc1n[nH]c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.43
MAPK1 P28482 2/20 0.43
MAPK6 Q16659 2/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
ITK Q08881 1/20 0.43
HTR2A P28223 1/20 0.42
FADS1 O60427 1/20 0.41
METAP2 P50579 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
NTRK1 P04629 2/20 0.38
PLK1 P53350 1/20 0.38
MPO P05164 1/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL27751008 0.86 MPO (0.41) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL5953156 0.86 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL10271562 0.82 ITK (0.43) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL14979246 0.80 TSHR (0.54) MAP2K4MAPK1MAPK6ITKHTR2A
SCHEMBL30965223 0.80 TSHR (0.54) MAP2K4MAPK1MAPK6ITKHTR2A
SCHEMBL3589720 0.79 GSK3B (0.47) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL1140859 0.79 MAP2K4 (0.39) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL5952447 0.79 MAP2K4 (0.60) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL1271820 0.79 PDPK1 (0.58) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL5952457 0.79 FADS1 (0.45) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
CN-103391936-A Anticancer agent NAT UNIV CORP UNIV TOKYO 2013-11-13 CN disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (3 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAP2K4 252/4885MAPK1 154/4885MAPK6 112/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAP2K4 376/4885MAPK1 23/4885MAPK6 103/4885
US-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 MAP2K4 160/4885MAPK1 64/4885MAPK6 81/4885

“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.