SCHEMBL676257

SCHEMBL676257

COc1ccc2sc(SCC(=O)c3ccc4[nH]c5nccc(Cl)c5c4c3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
EGFR P00533 1/20 0.43
MAPT P10636 7/20 0.41
LMNA P02545 3/20 0.41
PPARA Q07869 4/20 0.41
ALPL P05186 2/20 0.41
ALPG P10696 2/20 0.41
GCGR P47871 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSD P07339 1/20 0.39
POLB P06746 3/20 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
SCHEMBL3667781 0.86 ALPL (0.56) MAPTLMNAALPLALPGGCGR
SCHEMBL675865 0.86 CTSL (0.45) CTSLCTSBCTSKEGFRMAPT
SCHEMBL675911 0.85 CTSL (0.46) CTSLCTSBCTSKEGFRMAPT
SCHEMBL675345 0.74 CA1 (0.47) MAPTGCGRMEN1KMT2AHPGD
SCHEMBL674811 0.73 ALDH1A1 (0.55) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL3666388 0.73 GCGR (0.64) MAPTALPLALPGGCGRMEN1
SCHEMBL676353 0.72 RAB9A (0.50) MAPTGCGRMEN1KMT2AHPGD
SCHEMBL674476 0.71 ALPL (0.57) MAPTLMNAALPLALPGGCGR
SCHEMBL3668534 0.71 ERBB2 (0.42) EGFRMAPTMEN1KMT2ANPC1
SCHEMBL675230 0.71 MEN1 (0.47) MAPTLMNAMEN1KMT2AALDH1A1

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 3 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
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 CTSL 1511/4885CTSB 2798/4885CTSK 3533/4885

“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.