SCHEMBL12366193

SCHEMBL12366193

CNc1ccc2nc(C)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
KDM1A O60341 1/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
CASP6 P55212 1/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EGFR P00533 2/20 0.49
TERT O14746 3/20 0.45
PIK3CA P42336 1/20 0.42

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
SCHEMBL14035674 0.79 CYP1A2 (0.53) CYP1A2KDM1AKDM4EPOLBLMNA
SCHEMBL17918989 0.79 EGFR (0.55) KDM1AKDM4EPOLBCASP6NPC1
SCHEMBL24803121 0.78 EGFR (0.47) CYP1A2KDM1AKDM4EPOLBCASP6
SCHEMBL10939039 0.78 KDM1A (0.70) CYP1A2KDM1AKDM4EPOLBLMNA
SCHEMBL10133371 0.78 NPC1 (0.52) CYP1A2KDM1AKDM4EPOLBLMNA
SCHEMBL8355880 0.78 NPC1 (0.68) CYP1A2KDM1AKDM4EPOLBNPC1
SCHEMBL24894010 0.78 NPC1 (0.63) CYP1A2KDM1AKDM4EPOLBLMNA
SCHEMBL2175124 0.77 NPC1 (0.67) CYP1A2KDM1AKDM4EPOLBLMNA
SCHEMBL9676236 0.77 NPC1 (0.51) CYP1A2KDM1AKDM4EPOLBLMNA
SCHEMBL8902362 0.76 EGFR (0.45) KDM1APOLBCASP6NPC1RAB9A

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
EP-4400505-A1 PEPTIDE-UREA DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF Bivision Pharmaceuticals, Inc (CN) 2024-07-17 EP disclosed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
US-8008324-B2 Antitumor agents; N-propargyl-N-(2-methyl-6-quinolyl)-[1-(4-chlorobenzyl)indol-3-yl]glyoxylamide AETERNA ZENTARIS GMBH (DE) 2011-08-30 US disclosed
US-20080153875-A1 Novel indole derivatives and their use as medicament AETERNA ZENTARIS GMBH (DE) 2008-06-26 US 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-20080153875-A1 Novel indole derivatives and their use as medicament IDO1, TPH1, IDO2 CYP1A2 192/4885KDM1A 1426/4885KDM4E 2018/4885

“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.