SCHEMBL676347

SCHEMBL676347

CCCC#Cc1ccc2[nH]c3ncc(Cl)cc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.38
GABRA1 P14867 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA3 P34903 5/20 0.36
GABRA2 P47869 5/20 0.36
GABRA5 P31644 4/20 0.36
GABRA4 P48169 3/20 0.36
GABRA6 Q16445 3/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHEK1 O14757 1/20 0.35
EGFR P00533 2/20 0.35
PIKFYVE Q9Y2I7 3/20 0.34
CHUK O15111 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STK16 O75716 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
SCHEMBL676829 0.80 CHRNB2 (0.36) UTS2RGABRA1GABRG2GABRB3GABRA3
SCHEMBL674645 0.79 JAK2 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL676456 0.79 UTS2R (0.45) UTS2RCHRNB2CHRNA4CYP2D6HRH3
SCHEMBL15873503 0.74 CHUK (0.54) UTS2RCHEK1CHUKMEN1KMT2A
SCHEMBL676121 0.73 PIKFYVE (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15884007 0.72 ACHE (0.50) UTS2RGABRA1GABRG2GABRB3GABRA3
SCHEMBL676319 0.72 UTS2R (0.44) UTS2RGABRA1GABRG2GABRB3GABRA3
SCHEMBL675526 0.71 NPC1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL20685592 0.69 ACHE (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL20685545 0.69 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 UTS2R 4708/4885GABRA1 1267/4885GABRG2 1007/4885

“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.