SCHEMBL674445

SCHEMBL674445

c1c[nH]c(-c2ccc3c(n2)[nH]c2ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.53
MAPT P10636 15/20 0.40
ALDH1A1 P00352 1/20 0.39
GPR3 P46089 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK10 P53779 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 1/20 0.38
PARP1 P09874 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
SCHEMBL31463339 0.77 CA5A (0.59) CA5AMAPTALDH1A1GPR3HSD17B10
SCHEMBL469192 0.77 CA5A (0.59) CA5AMAPTALDH1A1GPR3HSD17B10
SCHEMBL22268360 0.76 CA5A (0.54) CA5AMAPTALDH1A1GPR3HSD17B10
SCHEMBL678777 0.72 CA5A (0.53) CA5AMAPTNPC1TP53RAB9A
SCHEMBL676130 0.71 CA5A (0.51) CA5AMAPTALDH1A1HSD17B10NPC1
SCHEMBL19270251 0.70 CA5A (0.47) CA5AMAPTALDH1A1
SCHEMBL23319574 0.69 CA5A (0.62) CA5AMAPTALDH1A1GPR3HSD17B10
SCHEMBL1336334 0.69 CA5A (1.00) CA5AMAPTALDH1A1GPR3HSD17B10
SCHEMBL38654007 0.69 CA5A (0.62) CA5AMAPTALDH1A1GPR3HSD17B10
SCHEMBL29623886 0.69 CA5A (1.00) CA5AMAPTALDH1A1GPR3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112490380-A Organic light emitting device and apparatus including the same 三星显示有限公司 2021-03-12 CN 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-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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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
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 1904/4885MAPT 1494/4885ALDH1A1 749/4885

“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.