SCHEMBL674907

SCHEMBL674907

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
PARP1 P09874 1/20 0.42
MAP2 P11137 1/20 0.41
CCKBR P32239 1/20 0.39
ERBB2 P04626 1/20 0.38
PTK6 Q13882 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 3/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CHUK O15111 1/20 0.35
UTS2R Q9UKP6 1/20 0.34

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
SCHEMBL13463989 0.87 MAP2 (0.41) MAP2CCKBRERBB2PTK6POLB
SCHEMBL675443 0.85 MAP2 (0.44) GSK3BPARP1MAP2CCKBRKMT2A
SCHEMBL674892 0.83 KDM4E (0.48) GSK3BMAP2CCKBRERBB2PTK6
SCHEMBL675229 0.82 ERBB2 (0.53) PARP1MAP2CCKBRERBB2PTK6
SCHEMBL675148 0.80 MEN1 (0.44) GSK3BPARP1ERBB2PTK6KMT2A
SCHEMBL676157 0.80 CA1 (0.46) MAP2CCKBRKMT2AKDM4EALDH1A1
SCHEMBL16241843 0.80 MAP2 (0.39) MAP2CCKBRERBB2PTK6POLB
SCHEMBL674851 0.79 MAP2 (0.49) MAP2CCKBRERBB2PTK6POLB
SCHEMBL676048 0.79 GSK3B (0.41) GSK3BPARP1ERBB2PTK6KMT2A
SCHEMBL676913 0.79 ALDH1A1 (0.38) MAP2CCKBRERBB2PTK6POLB

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
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

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 GSK3B 104/4885PARP1 1309/4885MAP2 962/4885

“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.