SCHEMBL675486

SCHEMBL675486

O=[N+]([O-])c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 15/20 1.00
ERBB2 P04626 6/20 0.76
ALK Q9UM73 2/20 0.67
AURKA O14965 1/20 0.67
EGFR P00533 1/20 0.67
SRC P12931 1/20 0.67
ACVR1 Q04771 1/20 0.67
AURKC Q9UQB9 1/20 0.67
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL25096205 0.80 PTK6 (1.00) PTK6ERBB2ALKAURKAEGFR
SCHEMBL29758552 0.80 PTK6 (1.00) PTK6ERBB2ALKAURKAEGFR
SCHEMBL676841 0.80 PTK6 (0.66) PTK6ERBB2ALKAURKAEGFR
SCHEMBL684772 0.79 PTK6 (0.71) PTK6ERBB2ALKAURKAEGFR
SCHEMBL858836 0.78 PTK6 (0.64) PTK6ERBB2ALKEGFRSRC
SCHEMBL675364 0.78 ERBB2 (0.64) PTK6ERBB2ALKAURKAEGFR
SCHEMBL675375 0.77 PTK6 (0.79) PTK6ERBB2ALKAURKAEGFR
SCHEMBL15375557 0.76 ALK (1.00) PTK6ERBB2ALK
SCHEMBL675511 0.76 PTK6 (0.61) PTK6ERBB2ALKKDM4EALDH1A1
SCHEMBL2285411 0.73 ABL1 (0.69) PTK6AURKAEGFRSRCKDM4E

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 8 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-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 PTK6 2466/4885ERBB2 156/4885ALK 1/4885

“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.