SCHEMBL674940

SCHEMBL674940

CCCCCc1cc2c(nc1N)[nH]c1ccc(-c3ccc(OC)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
GHSR Q92847 1/20 0.42
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TLR8 Q9NR97 11/20 0.41
ALK Q9UM73 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 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
SCHEMBL676202 0.88 TLR8 (0.48) GSK3AGSK3BTLR8
SCHEMBL675670 0.87 GHSR (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL3722839 0.85 HTR1A (0.42) TLR8
SCHEMBL675725 0.85 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL3426131 0.85 ATP4A (0.39) HRH3TLR8
SCHEMBL3730839 0.82 DRD3 (0.43) HRH3TLR8ALK
SCHEMBL3724896 0.81 CCNB2 (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL675789 0.79 TLR8 (0.42) TLR8
SCHEMBL676481 0.79 HRH2 (0.49) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL3719653 0.78 ALK (0.54) CCNB2CDK1CCNB1GSK3AGSK3B

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 CCNB2 1329/4885CDK1 1141/4885CCNB1 923/4885

“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.