SCHEMBL676121

SCHEMBL676121

Clc1cnc2[nH]c3ccc(C#CC4CCCCC4)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 2/20 0.43
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
GRM5 P41594 2/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
EIF2AK2 P19525 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL674727 0.81 PIKFYVE (0.41) PIKFYVEPDGFRBPDGFRAGRM5CYP1A2
SCHEMBL675083 0.80 ALK (0.45) PIKFYVEPDGFRBPDGFRAGRM5CYP1A2
SCHEMBL674645 0.77 JAK2 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3396582 0.76 PIKFYVE (0.38) PIKFYVEPDGFRBPDGFRAGRM5CYP1A2
SCHEMBL675526 0.74 NPC1 (0.40) PIKFYVEGRM5CYP1A2NPC1RAB9A
SCHEMBL676347 0.73 UTS2R (0.38) PIKFYVEGABRA1GABRG2GABRB3GABRA3
SCHEMBL15873503 0.73 CHUK (0.54) PDGFRBPDGFRACYP1A2MAPTCHEK1
SCHEMBL675701 0.71 OPRM1 (0.36) PDGFRBPDGFRACHEK1ACHE
SCHEMBL20685592 0.68 ACHE (0.50) MAPTGABRA1GABRG2GABRB3GABRA3
SCHEMBL20685545 0.68 CHEK1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2

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 PIKFYVE 1894/4885PDGFRB 10/4885PDGFRA 11/4885

“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.