SCHEMBL13449463

SCHEMBL13449463

CCOc1nc(-c2cccc(Cc3nn(-c4cnn(C)c4F)cc(F)c3=O)c2)no1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 1/20 0.34
MET P08581 1/20 0.33
DAO P14920 1/20 0.31
KCNT1 Q5JUK3 2/20 0.30
GRIN2B Q13224 2/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13275113 0.86 MET (0.36) METGRIN2B
SCHEMBL2268673 0.79 MET (0.40) MET
SCHEMBL2264608 0.62 RAB9A (0.37) DAONPC1SMN1; SMN2
SCHEMBL2265885 0.61 DAO (0.42) METDAONPC1SMN1; SMN2
SCHEMBL2261213 0.61 RAB9A (0.38) NPC1SMN1; SMN2
SCHEMBL2271679 0.60 RAB9A (0.36) DAONPC1SMN1; SMN2
SCHEMBL2271901 0.60 PPARA (0.39) NPC1SMN1; SMN2
SCHEMBL164227 0.59 BRD4 (0.37) MET
SCHEMBL2221573 0.59 RAB9A (0.36) S1PR1NPC1SMN1; SMN2
SCHEMBL13275230 0.59 MET (0.37) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US 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 (1 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 S1PR1 1880/4885S1PR3 2004/4885MET 2/4885

“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.