SCHEMBL676157

SCHEMBL676157

O=C(CSc1ccccc1)c1ccc2[nH]c3ncc(Cl)cc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA13 Q8N1Q1 3/20 0.46
MAP2 P11137 1/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
GCGR P47871 1/20 0.40
CCKBR P32239 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 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
SCHEMBL675473 0.89 CXCR2 (0.39) CA1CA2CA7CA13MAP2
SCHEMBL13463990 0.88 MAPT (0.47) CA1CA2CA7CA13MAPT
SCHEMBL674213 0.86 ALDH1A1 (0.50) MAP2MAPTGAAPKMKMT2A
SCHEMBL675037 0.83 GCGR (0.62) CA1CA2CA7CA13MAPT
SCHEMBL675108 0.82 CA1 (0.46) CA1CA2CA7CA13MAPT
SCHEMBL674897 0.81 PKM (0.41) MAP2MAPTPKMKMT2AMEN1
SCHEMBL675345 0.81 CA1 (0.47) CA1CA2CA7CA13MAPT
SCHEMBL674476 0.81 ALPL (0.57) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL675443 0.80 MAP2 (0.44) MAP2PKMKMT2AALDH1A1CCKBR
SCHEMBL675381 0.80 MAPT (0.58) MAPTPKMKMT2AMEN1ALDH1A1

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 11 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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
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 CA1 3934/4885CA2 2078/4885CA7 1424/4885

“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.