SCHEMBL677068

SCHEMBL677068

CCCCC(N)c1ccnc2[nH]c3ccc(-c4ccco4)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
UTS2R Q9UKP6 5/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRA4 P48169 1/20 0.37
CLK4 Q9HAZ1 4/20 0.37
EGFR P00533 1/20 0.36
GSK3B P49841 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL675730 0.85 ALK (0.45) UTS2RGSK3BALK
SCHEMBL675581 0.81 GABRA1 (0.42) CNR2UTS2RGABRA1GABRG2GABRB3
SCHEMBL676479 0.81 ALK (0.51) UTS2REGFRGSK3BNPC1RAB9A
SCHEMBL675787 0.80 CNR2 (0.39) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3723800 0.79 CNR2 (0.43) CNR2UTS2RGABRA1GABRG2GABRB3
SCHEMBL676274 0.77 ALK (0.44) UTS2RCYP3A4CYP2D6KCNH2KDM4E
SCHEMBL675457 0.76 JAK2 (0.48) ALKCDK1
SCHEMBL3722596 0.76 HRH3 (0.40) UTS2RGSK3BALK
SCHEMBL676627 0.75 ALK (0.45) CNR2UTS2RGABRA1GABRG2GABRB3
SCHEMBL676628 0.75 ALK (0.45) CNR2UTS2RGABRA1GABRG2GABRB3

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 CNR2 965/4885UTS2R 4708/4885GABRA1 1267/4885

“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.