SCHEMBL675037

SCHEMBL675037

O=C(CSc1nc2ccccc2[nH]1)c1ccc2[nH]c3ncc(Cl)cc3c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.62
ALPL P05186 1/20 0.60
ALPG P10696 1/20 0.60
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA13 Q8N1Q1 2/20 0.57
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CCNK O75909 1/20 0.55
CDK12 Q9NYV4 1/20 0.55
ALOX15 P16050 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
MAPT P10636 6/20 0.52
HCRTR1 O43613 1/20 0.51
LMNA P02545 2/20 0.49

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
SCHEMBL16241842 0.85 GCGR (0.63) GCGRALPLALPGCA1CA2
SCHEMBL3666388 0.83 GCGR (0.64) GCGRALPLALPGCA1CA2
SCHEMBL676157 0.83 CA1 (0.46) GCGRCA1CA2CA7CA13
SCHEMBL674476 0.82 ALPL (0.57) GCGRALPLALPGALDH1A1NPC1
SCHEMBL674213 0.81 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AALOX15HSD17B10
SCHEMBL6203056 0.80 GCGR (0.72) GCGRALPLALPGCA1CA2
SCHEMBL675473 0.77 CXCR2 (0.39) GCGRCA1CA2CA7CA13
SCHEMBL30661861 0.75 GCGR (1.00) GCGRALPLALPGCA1CA2
SCHEMBL2649217 0.75 GCGR (1.00) GCGRALPLALPGCA1CA2
SCHEMBL675381 0.75 MAPT (0.58) ALDH1A1NPC1RAB9AKMT2AMEN1

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 12 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
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 GCGR 3530/4885ALPL 512/4885ALPG 3471/4885

“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.