SCHEMBL676190

SCHEMBL676190

COc1ccccc1-c1ccc2c(n1)[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.49
PTPN1 P18031 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE5A O76074 2/20 0.44
AURKA O14965 1/20 0.44
METAP2 P50579 1/20 0.43

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
SCHEMBL30941743 0.78 CYP1A2 (0.47) CA1CA2CA4CA6MAPT
SCHEMBL675283 0.77 KDM4E (0.50) CA5AMAPTALDH1A1KDM4EHPGD
SCHEMBL30646325 0.75 CA5A (0.57) CA5AMAPTALDH1A1KDM4EHPGD
SCHEMBL27085642 0.75 CA5A (0.57) CA5AMAPTALDH1A1KDM4EHPGD
SCHEMBL469192 0.73 CA5A (0.59) CA5AMAPTALDH1A1KDM4EHPGD
SCHEMBL31463339 0.73 CA5A (0.59) CA5AMAPTALDH1A1KDM4EHPGD
SCHEMBL29271059 0.73 CA5A (0.44) CA5AMAPTSMN1; SMN2RAB9A
SCHEMBL12369778 0.73 CDK4 (0.53) GSK3AGSK3BPDE5A
SCHEMBL678777 0.72 CA5A (0.53) CA5AMAPTKDM4EHPGDSMN1; SMN2
SCHEMBL23594330 0.72 TNKS2 (0.66) PTPN1CA1CA2CA4CA6

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 4 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
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

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 1904/4885PTPN1 82/4885CA1 3934/4885

“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.