SCHEMBL174725

SCHEMBL174725

Cn1cc(-n2ccc(=O)c(/C=C/c3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PDE10A Q9Y233 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP3A4 P08684 3/20 0.38
DYRK1A Q13627 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
ABL1 P00519 1/20 0.36
NQO2 P16083 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL164506 1.00 MET (0.44) METMEN1NPC1MAPTCASP3
SCHEMBL14916001 0.88 MET (0.35) METMEN1NPC1MAPTRAB9A
SCHEMBL369178 0.88 MET (0.35) METMEN1NPC1MAPTRAB9A
SCHEMBL162668 0.78 MET (0.43) METMAPTRAB9APDE10ADYRK1A
SCHEMBL360685 0.78 MET (0.46) METPDE10ADYRK1ADYRK1BABL1
SCHEMBL2223043 0.77 MET (0.52) METPDE10A
SCHEMBL2263079 0.77 WNT1 (0.45) METMEN1KMT2APDE10ADYRK1A
SCHEMBL164181 0.77 MET (0.53) MET
SCHEMBL2269727 0.77 MET (0.52) METPDE10ADYRK1ADYRK1BABL1
SCHEMBL369358 0.76 MET (0.43) METPDE10ADYRK1ADYRK1BABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET MET 3/4885MEN1 1942/4885NPC1 3573/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 MET 1/4885MEN1 975/4885NPC1 4222/4885

“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.