SCHEMBL675413

SCHEMBL675413

C=C(c1cccc(OC)c1)c1ccc2[nH]c3nc(C(=C)c4cccc(OC)c4)ccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
CNR2 P34972 1/20 0.38
GRM5 P41594 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PARP14 Q460N5 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
SCHEMBL3666125 0.88 KCNQ3 (0.42) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL676477 0.84 KDR (0.41) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL676282 0.79 MAPT (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL676374 0.76 ERBB2 (0.47) NPC1RAB9ASMN1; SMN2EGFR
SCHEMBL3662784 0.76 ERBB2 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6896118 0.72 CES2 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL676244 0.72 CTNNB1 (0.34) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL676824 0.71 KDM4E (0.42) NPC1RAB9APKMMEN1KMT2A
SCHEMBL698442 0.68 KDR (0.39) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL12304002 0.68 CES2 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 239/4885RAB9A 2539/4885PKM 858/4885

“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.