SCHEMBL675463

SCHEMBL675463

Clc1ccnc2[nH]c3ccc(C#CC4=CCCCC4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 2/20 0.39
GRM5 P41594 2/20 0.39
AURKA O14965 2/20 0.36
AURKB Q96GD4 1/20 0.36
FFAR1 O14842 1/20 0.36
PIKFYVE Q9Y2I7 4/20 0.34
UTS2R Q9UKP6 1/20 0.33
MAP3K14 Q99558 1/20 0.32
PTK6 Q13882 2/20 0.32
ERBB2 P04626 1/20 0.32
AXL P30530 1/20 0.31
PRKCI P41743 1/20 0.31
EGFR P00533 1/20 0.30
IGF1R P08069 1/20 0.30

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
SCHEMBL3425228 0.91 ALK (0.38) ALKNPC1RAB9AATMCYP1A2
SCHEMBL675526 0.81 NPC1 (0.40) NPC1RAB9AATMCYP1A2GRM5
SCHEMBL675871 0.79 NPC1 (0.43) ALKNPC1RAB9AATMCYP1A2
SCHEMBL676246 0.78 AURKA (0.49) ALKAURKAAURKBUTS2RPTK6
SCHEMBL675083 0.75 ALK (0.45) ALKNPC1RAB9ACYP1A2GRM5
SCHEMBL676456 0.72 UTS2R (0.45) ALKAURKAAURKBUTS2RPTK6
SCHEMBL674634 0.70 NPC1 (0.46) NPC1RAB9AATMCYP1A2GRM5
SCHEMBL675163 0.67 PTK6 (0.59) ALKAURKAAURKBUTS2RPTK6
SCHEMBL4961143 0.67 EGFR (0.55) ALKAURKAAURKBUTS2RPTK6
SCHEMBL5774083 0.66 CYP1A2 (0.48) NPC1RAB9AATMCYP1A2GRM5

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 1/4885NPC1 239/4885RAB9A 2539/4885

“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.