SCHEMBL1702196

SCHEMBL1702196

c1cnc(Nc2ccc3ccccc3n2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.57
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
KDM4E B2RXH2 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PAX8 Q06710 2/20 0.50
ALDH1A1 P00352 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
GAA P10253 1/20 0.49
PDE10A Q9Y233 1/20 0.45
TSHR P16473 2/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KMT2A Q03164 2/20 0.44
GRM5 P41594 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
SCHEMBL9402370 0.85 NCF1 (0.53) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL10458402 0.83 NCF1 (0.71) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL30760998 0.83 NCF1 (0.71) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1702119 0.83 NPC1 (0.59) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2844247 0.83 NPC1 (0.59) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1703116 0.77 PDGFRB (0.65) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1702696 0.76 NCF1 (0.51) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL17995328 0.76 NPC1 (0.52) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL22134928 0.76 NPC1 (0.49) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL396525 0.76 NCF1 (0.61) NCF1NPC1RAB9AKDM4ESMN1; 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 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440546-B1 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA ABIVAX (FR) 2022-12-28 EP claimed
US-11014918-B2 Compounds and pharmaceutical compositions containing at least one of the compounds ABIVAX (FR) 2021-05-25 US claimed
US-20200172525-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING AT LEAST ONE OF THE COMPOUNDS ABIVAX (FR) 2020-06-04 US claimed
US-20180339981-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING ABIVAX (FR) 2018-11-29 US claimed
US-9827237-B2 Compounds useful for treating diseases caused by retroviruses ABIVAX (FR) 2017-11-28 US claimed
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES ABIVAX (FR) 2016-06-02 US claimed
EP-3016656-A1 BICYCLIC COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES ABIVAX (FR) 2016-05-11 EP claimed
US-9108919-B2 Compounds useful for treating cancer ABIVAX (FR) 2015-08-18 US claimed
WO-2015001518-A1 BICYCLIC COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES SPLICOS (FR) 2015-01-08 WO claimed
US-20140080831-A1 COMPOUNDS USEFUL FOR TREATING CANCER CENTRE NATIONALE DE RECHERCHE SCIENTIFIQUE (FR) 2014-03-20 US claimed
US-20120329796-A1 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA SOCIETE SPLICOS (FR) 2012-12-27 US claimed
US-20120283265-A1 COMPOUNDS USEFUL FOR TREATING AIDS SOCIETE SPLICOS (FR) 2012-11-08 US claimed
US-20120277230-A1 COMPOUNDS USEFUL FOR TREATING CANCER SOCIETE SPLICOS (FR) 2012-11-01 US claimed
EP-2440546-A2 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA Société Splicos (FR) 2012-04-18 EP claimed
WO-2010143170-A2 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA SOCIÉTÉ SPLICOS (FR) 2010-12-16 WO claimed
US-20240343716-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING ABIVAX (FR) 2024-10-17 US disclosed
EP-3521283-B1 COMPOUNDS USEFUL FOR TREATING CANCER ABIVAX (FR) 2024-02-28 EP disclosed
EP-1828142-A1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT Merck Patent GmbH (DE) 2007-09-05 EP disclosed
WO-2006123165-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-11-23 WO disclosed
WO-2006063654-A1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 WO 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 (9 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-20120283265-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR1, CNR1, CBR3 NCF1 632/4885NPC1 45/4885RAB9A 4149/4885
US-20120277230-A1 COMPOUNDS USEFUL FOR TREATING CANCER CBR1, CBR3, NCOR1 NCF1 717/4885NPC1 129/4885RAB9A 4050/4885
US-11014918-B2 Compounds and pharmaceutical compositions containing at least one of the compounds TP53, BRCA1, LIMS1 NCF1 2955/4885NPC1 19/4885RAB9A 351/4885
US-20240343716-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING RCOR1, NR3C1, NR5A1 NCF1 1523/4885NPC1 80/4885RAB9A 2148/4885
US-20120329796-A1 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA NR2C2, NCOR2, NR4A2 NCF1 834/4885NPC1 144/4885RAB9A 4270/4885
US-20180339981-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING RCOR1, NR3C1, NR5A1 NCF1 1523/4885NPC1 80/4885RAB9A 2148/4885
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES RCOR1, CBR1, RCOR3 NCF1 731/4885NPC1 126/4885RAB9A 3396/4885
US-20200172525-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING AT LEAST ONE OF THE COMPOUNDS TP53, BRCA1, LIMS1 NCF1 2955/4885NPC1 19/4885RAB9A 351/4885
US-20140080831-A1 COMPOUNDS USEFUL FOR TREATING CANCER NR1H4, NR1H3, NCOR1 NCF1 810/4885NPC1 60/4885RAB9A 1904/4885

“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.