SCHEMBL675248

SCHEMBL675248

C=C(c1ccccc1)c1ccc2c(n1)[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.51
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GPR3 P46089 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK10 P53779 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 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
SCHEMBL676477 0.86 KDR (0.41) CA5AALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL29709826 0.80 CA5A (0.56) CA5AALDH1A1HSD17B10GPR3TP53
Carbazole SCHEMBL27524980 0.76 ALDH1A1 (0.61) ALDH1A1HSD17B10GPR3SMN1; SMN2LMNA
SCHEMBL675814 0.72 GABRP (0.44) ALDH1A1HSD17B10GPR3TP53NPC1
SCHEMBL675413 0.71 NPC1 (0.39) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL676824 0.71 KDM4E (0.42) CA5AALDH1A1HSD17B10NPC1RAB9A
SCHEMBL31463339 0.69 CA5A (0.59) CA5AALDH1A1HSD17B10GPR3POLB
SCHEMBL469192 0.69 CA5A (0.59) CA5AALDH1A1HSD17B10GPR3POLB
SCHEMBL676322 0.69 ALK (0.49) ALDH1A1HSD17B10POLBMAPTLMNA
SCHEMBL23319574 0.68 CA5A (0.62) CA5AALDH1A1HSD17B10GPR3POLB

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 CA5A 1904/4885ALDH1A1 749/4885HSD17B10 2928/4885

“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.