SCHEMBL676274

SCHEMBL676274

CCCCC(N)c1ccnc2[nH]c3ccc(/C=C/c4ccccc4)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.44
UTS2R Q9UKP6 8/20 0.40
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IP6K1 Q92551 1/20 0.34
PTK6 Q13882 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
SCHEMBL675008 0.89 ALK (0.48) ALKUTS2RNPC1GLARAB9A
SCHEMBL675730 0.84 ALK (0.45) ALKUTS2R
SCHEMBL676561 0.80 IP6K1 (0.36) ALKUTS2RCYP3A4MAPKAPK2KDM4E
SCHEMBL3727398 0.79 ALK (0.47) ALKUTS2RCYP3A4CYP2D6KCNH2
SCHEMBL3727396 0.79 ALK (0.47) ALKUTS2RCYP3A4CYP2D6KCNH2
SCHEMBL675097 0.78 IP6K1 (0.37) ALKCYP3A4MAPKAPK2KDM4EMAPT
SCHEMBL677068 0.77 CNR2 (0.39) ALKUTS2RCYP3A4CYP2D6KCNH2
SCHEMBL676640 0.76 ALK (0.56) ALKUTS2RMAPKAPK2IP6K1
SCHEMBL676639 0.76 ALK (0.56) ALKUTS2RMAPKAPK2IP6K1
SCHEMBL676479 0.76 ALK (0.51) ALKUTS2RNPC1RAB9APTK6

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 ALK 1/4885UTS2R 4708/4885CYP3A4 3175/4885

“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.