SCHEMBL13629319

SCHEMBL13629319

O=c1c2ccncc2ncc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.47
KDM4A O75164 1/20 0.47
KDM4B O94953 1/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2A6 P11509 2/20 0.39
PARP1 P09874 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MET P08581 1/20 0.38
PDPK1 O15530 1/20 0.38
TGFBR1 P36897 1/20 0.38
IKBKE Q14164 1/20 0.38
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
F10 P00742 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AURKA O14965 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
SCHEMBL13629295 0.85 KDM4E (0.52) MAPTKDM4EPARP1ALDH1A1MET
SCHEMBL5065082 0.81 CYP3A4 (0.49) KDM4CMAPTKDM4EMETIKBKE
SCHEMBL13629318 0.79 KDM4E (0.45) MAPTKDM4EPARP1ALDH1A1MET
SCHEMBL13629308 0.78 KDM4E (0.45) MAPTKDM4EPARP1ALDH1A1MET
SCHEMBL13859959 0.78 MAPT (0.71) MAPTKDM4EALDH1A1METNCOA1
SCHEMBL13859954 0.77 CYP3A4 (0.53) MAPTKDM4EMETNCOA1
SCHEMBL13166528 0.73 LMNA (0.41) MAPTKDM4EALDH1A1METAURKA
SCHEMBL13166555 0.73 KDM4E (0.40) MAPTKDM4ECYP2A6PARP1ALDH1A1
SCHEMBL2231455 0.71 KDM4E (0.68) MAPTKDM4EALDH1A1NCOA1
SCHEMBL276306 0.71 MAPT (0.48) KDM4CKDM4AKDM4BKDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4C 610/4885KDM4A 775/4885KDM4B 949/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET KDM4C 1321/4885KDM4A 1184/4885KDM4B 1361/4885

“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.