SCHEMBL676374

SCHEMBL676374

C=C(c1cccc(OC)c1)c1ccc2[nH]c3nccc(C(=C)c4cccc(OC)c4)c3c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 8/20 0.47
PTK6 Q13882 8/20 0.47
EGFR P00533 3/20 0.45
IGF1R P08069 2/20 0.45
ALK Q9UM73 1/20 0.40
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3662784 0.88 ERBB2 (0.47) ERBB2PTK6EGFRIGF1RALK
SCHEMBL676448 0.85 ALK (0.42) ERBB2PTK6EGFRALK
SCHEMBL676185 0.78 ERBB2 (0.38) ERBB2PTK6EGFRALKPOLB
SCHEMBL676282 0.78 MAPT (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL675413 0.76 NPC1 (0.39) EGFRNPC1RAB9ASMN1; SMN2
SCHEMBL3666125 0.76 KCNQ3 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL3669225 0.72 AURKA (0.47) ERBB2PTK6EGFRIGF1RALK
SCHEMBL676322 0.72 ALK (0.49) ERBB2PTK6EGFRALKPOLB
SCHEMBL6896118 0.71 CES2 (0.64) NPC1RAB9ASMN1; SMN2
SCHEMBL3666055 0.70 HDAC3 (0.40) POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 ERBB2 156/4885PTK6 2466/4885EGFR 226/4885

“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.