SCHEMBL4309790

SCHEMBL4309790

O=c1c2cccnc2ccc2ncc(-c3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.57
KCNH2 Q12809 1/20 0.54
MAPK10 P53779 1/20 0.54
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
PSMB5 P28074 1/20 0.46
ACVR1 Q04771 2/20 0.45
PIK3CA P42336 2/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK14 Q16539 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL2330707 0.86 MET (0.67) METKCNH2MAPK10MAPTPIK3CA
SCHEMBL2450265 0.81 MET (0.68) METKCNH2MAPK10MAPTPSMB5
SCHEMBL2447320 0.81 MET (0.54) METKCNH2MAPK10PSMB5PIK3CA
SCHEMBL2449685 0.81 MET (0.54) METKCNH2MAPK10PSMB5PIK3CA
SCHEMBL13859959 0.80 MAPT (0.71) METCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL13629295 0.79 KDM4E (0.52) METCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL4326486 0.79 MET (0.49) METCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL3530001 0.78 MET (0.51) METKCNH2MAPK10PSMB5PIK3CA
SCHEMBL2450048 0.78 MET (0.61) METKCNH2MAPK10
SCHEMBL2325832 0.78 MET (0.66) METKCNH2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US claimed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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 (2 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET MET 4/4885KCNH2 2584/4885MAPK10 425/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET MET 3/4885KCNH2 4231/4885MAPK10 616/4885

“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.