SCHEMBL675115

SCHEMBL675115

CCCC#Cc1ccc2c(n1)[nH]c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MCL1 Q07820 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
MAPK10 P53779 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL676138 0.77 CA5A (0.53) CA5ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL684360 0.72 CA5A (0.54) CA5ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL678771 0.71 GPR3 (0.40) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL676055 0.69 CA5A (0.62) CA5ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL676829 0.69 CHRNB2 (0.36) CA5ANPC1RAB9AMEN1KMT2A
SCHEMBL677303 0.67 UTS2R (0.51) CA5ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL23319574 0.65 CA5A (0.62) CA5ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29623886 0.65 CA5A (1.00) CA5ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL38654007 0.65 CA5A (0.62) CA5ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1336334 0.65 CA5A (1.00) CA5ASMN1; SMN2NPC1RAB9AMEN1

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-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-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-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
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 CA5A 1904/4885SMN1; SMN2 3499/4885NPC1 239/4885

“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.