SCHEMBL674591

SCHEMBL674591

O=C(NCCc1ccc2[nH]c3nccc(-c4ccc(-c5ccccc5)cc4)c3c2c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.50
KDM4E B2RXH2 1/20 0.45
KDM5A P29375 1/20 0.45
KDM5C P41229 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
NEK1 Q96PY6 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 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
SCHEMBL674590 0.93 KDM5B (0.44) ALKKDM4EKDM5AKDM5CKDM5B
SCHEMBL676129 0.91 KMT2A (0.51) ALKKDM4EKDM5BMEN1KMT2A
SCHEMBL676173 0.87 ALDH1A1 (0.53) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL676518 0.86 ALK (0.48) ALKKDM4EKMT2ARAB9ANPC1
SCHEMBL675879 0.85 KDM5B (0.48) KDM4EKDM5AKDM5CKDM5BMEN1
SCHEMBL676086 0.85 ALDH1A1 (0.48) KDM4EKDM5AKDM5CKDM5BMAPKAPK2
SCHEMBL674809 0.82 HIF1A (0.48) MEN1KMT2ARXFP1MAPK3MAPK1
SCHEMBL684505 0.81 KMT2A (0.51) KDM4EKDM5AKDM5CKDM5BMEN1
SCHEMBL676355 0.80 ALK (0.55) ALKKDM4EKDM5AKDM5CKDM5B
SCHEMBL676356 0.80 ALK (0.55) ALKKDM4EKDM5AKDM5CKDM5B

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 1/4885KDM4E 2789/4885KDM5A 2115/4885

“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.