SCHEMBL675083

SCHEMBL675083

Clc1ccnc2[nH]c3ccc(C#CC4CCCCC4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.45
PIKFYVE Q9Y2I7 2/20 0.40
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
UTS2R Q9UKP6 2/20 0.37
CYP1A2 P05177 1/20 0.36
GRM5 P41594 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
ERBB2 P04626 1/20 0.33
PTK6 Q13882 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
EIF2AK2 P19525 1/20 0.32

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
SCHEMBL676121 0.80 PIKFYVE (0.43) PIKFYVECYP1A2GRM5PDGFRBPDGFRA
SCHEMBL676246 0.78 AURKA (0.49) ALKAURKAAURKBUTS2RERBB2
SCHEMBL674727 0.78 PIKFYVE (0.41) PIKFYVECYP1A2GRM5PDGFRBPDGFRA
SCHEMBL675463 0.75 ALK (0.41) ALKPIKFYVEAURKAAURKBUTS2R
SCHEMBL676456 0.74 UTS2R (0.45) ALKAURKAAURKBUTS2RERBB2
SCHEMBL3396582 0.73 PIKFYVE (0.38) ALKPIKFYVECYP1A2GRM5PDGFRB
SCHEMBL674984 0.72 UTS2R (0.44) ALKAURKAAURKBUTS2RERBB2
SCHEMBL676809 0.69 PAX8 (0.40) CYP1A2GRM5NPC1MAPTRAB9A
SCHEMBL4961143 0.69 EGFR (0.55) ALKAURKAAURKBUTS2RERBB2
SCHEMBL675163 0.69 PTK6 (0.59) ALKAURKAAURKBUTS2RMAPT

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 ALK 1/4885PIKFYVE 1894/4885AURKA 1772/4885

“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.