SCHEMBL676138

SCHEMBL676138

C(#Cc1ccc2c(n1)[nH]c1ccccc12)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.53
GRM5 P41594 8/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
THPO P40225 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Diphenylacetylene SCHEMBL6544119 0.77 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL675115 0.77 CA5A (0.48) CA5AGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL676917 0.71 KDM4E (0.44) CA5AGRM5KDM4ECYP1A2CYP2C19
SCHEMBL469192 0.70 CA5A (0.59) CA5ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31463339 0.70 CA5A (0.59) CA5ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23319574 0.69 CA5A (0.62) CA5ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29623886 0.69 CA5A (1.00) CA5ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL38654007 0.69 CA5A (0.62) CA5ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL675082 0.69 CA5A (0.68) CA5ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1336334 0.69 CA5A (1.00) CA5ANPC1RAB9ASMN1; SMN2ALDH1A1

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 1904/4885GRM5 3229/4885KCNH2 2836/4885

“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.