SCHEMBL4317048

SCHEMBL4317048

O=c1c2cc(Cl)ncc2ccc2ncc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.56
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRA2 P47869 1/20 0.38
PARP1 P09874 1/20 0.37
KCNH2 Q12809 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
SCHEMBL2325786 0.83 MET (0.59) METPARP1KCNH2
SCHEMBL4316318 0.81 MET (0.51) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL4319932 0.81 MET (0.54) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL4309829 0.81 MET (0.54) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL399570 0.80 MET (0.59) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL2330091 0.80 MET (0.59) METPARP1KCNH2
SCHEMBL2448419 0.80 MET (0.59) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL10203085 0.79 MET (0.58) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL4313346 0.79 MET (0.52) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL2325953 0.78 MET (0.56) METGABRA1GABRG2GABRB3GABRA5

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 4/4885GABRA1 2264/4885GABRG2 1996/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET MET 3/4885GABRA1 2507/4885GABRG2 1936/4885

“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.