SCHEMBL675879

SCHEMBL675879

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDM5A P29375 1/20 0.48
KDM5C P41229 1/20 0.48
CNR1 P21554 3/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
SNCA P37840 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK3 P27361 1/20 0.44

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 0.85 ALK (0.50) KDM5BKDM4EKDM5AKDM5CRAB9A
SCHEMBL674590 0.85 KDM5B (0.44) KDM5BKDM4EKDM5AKDM5CCNR1
SCHEMBL684505 0.84 KMT2A (0.51) KDM5BKDM4EKDM5AKDM5CRAB9A
SCHEMBL676355 0.84 ALK (0.55) KDM5BKDM4EKDM5AKDM5CCNR1
SCHEMBL676356 0.84 ALK (0.55) KDM5BKDM4EKDM5AKDM5CCNR1
SCHEMBL676086 0.83 ALDH1A1 (0.48) KDM5BKDM4EKDM5AKDM5CRAB9A
SCHEMBL676908 0.83 CNR1 (0.52) CNR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL675503 0.82 AURKA (0.49)
SCHEMBL676129 0.81 KMT2A (0.51) KDM5BKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL675502 0.80 RAB9A (0.47) KDM4ECNR1RAB9ANPC1SMN1; SMN2

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 4 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
CN-102203092-A Alfa-carboline inhibitors of npm-alk, ret, and bcr-abl UNIV DEGLI STUDI MILANO 2011-09-28 CN 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.