SCHEMBL674590

SCHEMBL674590

O=C(NCCc1ccc2[nH]c3nccc(-c4ccccc4-c4ccccc4)c3c2c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
ALK Q9UM73 5/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
PTAFR P25105 1/20 0.41
AKT1 P31749 1/20 0.41
ESRRG P62508 1/20 0.41
NEK1 Q96PY6 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL674591 0.93 ALK (0.50) KDM5BKDM4EKDM5AKDM5CMAPK3
SCHEMBL676129 0.86 KMT2A (0.51) KDM5BKDM4EALKRAB9AMEN1
SCHEMBL675879 0.85 KDM5B (0.48) KDM5BKDM4EKDM5AKDM5CMAPK3
SCHEMBL676086 0.85 ALDH1A1 (0.48) KDM5BKDM4EKDM5AKDM5CMAPK3
SCHEMBL676173 0.85 ALDH1A1 (0.53) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL674808 0.83 SNCA (0.42) KDM5BKDM4EKDM5AKDM5CMAPK3
SCHEMBL676518 0.82 ALK (0.48) KDM4EALKRAB9AKMT2ANPC1
SCHEMBL676445 0.80 MMP2 (0.42) KDM5BKDM4EKDM5AKDM5CMAPK3
SCHEMBL684505 0.80 KMT2A (0.51) KDM5BKDM4EKDM5AKDM5CMAPK3
SCHEMBL676355 0.80 ALK (0.55) KDM5BKDM4EKDM5AKDM5CMAPK3

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 KDM5B 2048/4885KDM4E 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.