SCHEMBL675009

SCHEMBL675009

COc1ccc(C=Cc2ccc3[nH]c4nccc(CCCCCN)c4c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.50
GLA P06280 2/20 0.41
EGFR P00533 3/20 0.38
IGF1R P08069 2/20 0.38
PTK6 Q13882 2/20 0.38
HTR1D P28221 3/20 0.36
HTR6 P50406 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ERBB2 P04626 1/20 0.36
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL3728344 0.90 ALK (0.52) ALKGLAEGFRIGF1RPTK6
SCHEMBL3728347 0.90 ALK (0.52) ALKGLAEGFRIGF1RPTK6
SCHEMBL676275 0.88 ALK (0.46) ALKGLAKDM4ENPC1RAB9A
SCHEMBL676480 0.87 ALK (0.53) ALKEGFRIGF1RPTK6HTR1D
SCHEMBL675752 0.82 ALK (0.45) ALKCDK1
SCHEMBL677053 0.80 ALK (0.39) ALKGLAEGFRHTR1DHTR6
SCHEMBL675669 0.79 ALK (0.38) ALKGLAEGFRHTR1DHTR6
SCHEMBL676373 0.78 ALK (0.76) ALKGLAPTK6ERBB2KDM1A
SCHEMBL3727398 0.78 ALK (0.47) ALKGLACYP1A2KDM4ECYP3A4
SCHEMBL3727396 0.78 ALK (0.47) ALKGLACYP1A2KDM4ECYP3A4

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 ALK 1/4885GLA 3517/4885EGFR 226/4885

“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.