SCHEMBL675871

SCHEMBL675871

Clc1ccc2c(n1)[nH]c1ccc(C#CC3=CCCCC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
FFAR1 O14842 1/20 0.36
CYP1A2 P05177 3/20 0.34
GRM5 P41594 2/20 0.34
PIKFYVE Q9Y2I7 5/20 0.33
MAPT P10636 1/20 0.33
SNCA P37840 1/20 0.33
ALK Q9UM73 1/20 0.32
MAP3K14 Q99558 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CYP2C19 P33261 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
SCHEMBL675526 0.82 NPC1 (0.40) NPC1RAB9AATMFFAR1CYP1A2
SCHEMBL675463 0.79 ALK (0.41) NPC1RAB9AATMFFAR1CYP1A2
SCHEMBL676917 0.78 KDM4E (0.44) CYP1A2GRM5MAPTSNCAALK
SCHEMBL674727 0.74 PIKFYVE (0.41) NPC1RAB9AFFAR1CYP1A2GRM5
SCHEMBL3396582 0.72 PIKFYVE (0.38) NPC1RAB9AFFAR1CYP1A2GRM5
SCHEMBL676829 0.71 CHRNB2 (0.36) NPC1RAB9ACYP1A2PIKFYVEMAPT
SCHEMBL3425228 0.71 ALK (0.38) NPC1RAB9AATMFFAR1CYP1A2
SCHEMBL675860 0.67 NPC1 (0.46) NPC1RAB9AATMFFAR1CYP1A2
SCHEMBL675640 0.66 PIM3 (0.45) ATMCYP1A2MAPTSIRT2KDM4E
SCHEMBL1930369 0.65 NPC1 (0.51) NPC1RAB9AATMFFAR1CYP1A2

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 4 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
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 NPC1 239/4885RAB9A 2539/4885ATM 359/4885

“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.