SCHEMBL2264608

SCHEMBL2264608

CCc1nc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 2/20 0.35
ADORA3 P0DMS8 4/20 0.35
ADORA2B P29275 4/20 0.35
ADORA1 P30542 4/20 0.35
GAA P10253 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34

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
SCHEMBL2261213 0.93 RAB9A (0.38) RAB9ASMN1; SMN2KMT2ANPC1L3MBTL1
SCHEMBL2271901 0.92 PPARA (0.39) RAB9ASMN1; SMN2KMT2ANPC1L3MBTL1
SCHEMBL2271679 0.91 RAB9A (0.36) RAB9ASMN1; SMN2KMT2ANPC1L3MBTL1
SCHEMBL2265885 0.89 DAO (0.42) RAB9ASMN1; SMN2KMT2ANPC1L3MBTL1
SCHEMBL2221573 0.89 RAB9A (0.36) RAB9ASMN1; SMN2KMT2ANPC1L3MBTL1
SCHEMBL2270320 0.88 IRAK4 (0.37) RAB9ASMN1; SMN2KMT2ANPC1L3MBTL1
SCHEMBL12518123 0.88 ALDH1A1 (0.44) RAB9ASMN1; SMN2KMT2ANPC1MAPK1
SCHEMBL2273431 0.87 CNR1 (0.39) RAB9ASMN1; SMN2KMT2ANPC1L3MBTL1
SCHEMBL2221300 0.84 HSD17B13 (0.38)
SCHEMBL2273589 0.82 PARP1 (0.48) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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 6 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 claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
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
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (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 RAB9A 2525/4885SMN1; SMN2 3605/4885KMT2A 720/4885

“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.