SCHEMBL677972

SCHEMBL677972

C(=C/c1cnc2[nH]c3ccccc3c2c1)\c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.55
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 5/20 0.51
GLA P06280 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ATM Q13315 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
IP6K1 Q92551 1/20 0.47
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRG2 P18507 3/20 0.43

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
SCHEMBL675813 1.00 ALK (0.55) ALKKMT2AKDM4EGLAMAPT
SCHEMBL16257467 0.86 GABRP (0.44) KMT2AKDM4EMAPTNPC1RAB9A
SCHEMBL675105 0.81 NFE2L2 (0.53) ALKIP6K1
SCHEMBL678798 0.81 NFE2L2 (0.53) ALKIP6K1
SCHEMBL3398290 0.80 ALK (0.44) ALKKMT2AKDM4EGLAMAPT
SCHEMBL679339 0.80 ALK (0.44) ALKKMT2AKDM4EGLAMAPT
SCHEMBL678727 0.77 ALK (0.67) ALKGLAPDGFRBPDGFRA
SCHEMBL676194 0.77 ALK (0.67) ALKGLAPDGFRBPDGFRA
(Z)-1,2-Diphenylethene SCHEMBL4393600 0.77 ALDH1A1 (0.67) ALKKMT2AKDM4EGLAMAPT
(Z)-1,2-Diphenylethene SCHEMBL4393598 0.77 ALDH1A1 (0.67) ALKKMT2AKDM4EGLAMAPT

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 5 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-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 1/4885KMT2A 492/4885KDM4E 2789/4885

“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.