SCHEMBL1703350

SCHEMBL1703350

c1ccc2nc(Nc3ccncc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.55
RAB9A P51151 7/20 0.50
NPC1 O15118 7/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
AR P10275 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PDE10A Q9Y233 1/20 0.47
WNT3A P56704 1/20 0.47
KMT2A Q03164 2/20 0.46
RHOA P61586 1/20 0.46

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
SCHEMBL396525 0.86 NCF1 (0.61) NCF1RAB9ANPC1CYP3A4KDM4E
SCHEMBL29833517 0.86 NCF1 (0.61) NCF1RAB9ANPC1CYP3A4KDM4E
SCHEMBL30534868 0.82 DNMT1 (0.59) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10458402 0.82 NCF1 (0.71) NCF1RAB9ANPC1CYP1A2KDM4E
SCHEMBL30760998 0.82 NCF1 (0.71) NCF1RAB9ANPC1CYP1A2KDM4E
SCHEMBL6515358 0.81 MALT1 (0.42) RAB9ANPC1KDM4EKMT2AADRA2A
SCHEMBL29110577 0.80 NPC1 (0.58) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL4494871 0.80 KMT2A (0.58) NCF1RAB9ANPC1ARKDM4E
SCHEMBL8564697 0.80 NCF1 (0.53) NCF1RAB9ANPC1CYP1A2KDM4E
SCHEMBL4812645 0.80 NCF1 (0.53) NCF1RAB9ANPC1CYP1A2CYP3A4

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 130 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-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
CN-105530938-A Compounds for the treatment of diseases caused by retroviruses ABIVAX 2016-04-27 CN claimed
CN-104945378-A Compounds for the treatment of premature aging and especially premature aging ABIVAX 2015-09-30 CN claimed
CN-104844570-A Compounds for the treatment of premature aging and especially premature aging ABIVAX 2015-08-19 CN 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
CN-102625804-A Compounds for the treatment of AIDS SPLICOS SOC 2012-08-01 CN claimed
CN-102596935-A Compounds for the treatment of premature aging and especially premature aging SPLICOS SOC 2012-07-18 CN claimed
CN-102574835-A Compounds for the treatment of cancer SPLICOS SOC 2012-07-11 CN claimed
EP-2440547-A2 COMPOUNDS USEFUL FOR TREATING AIDS Société Splicos (FR) 2012-04-18 EP claimed
EP-2440545-A2 COMPOUNDS USEFUL FOR TREATING CANCER Société Splicos (FR) 2012-04-18 EP claimed
WO-2010143169-A2 COMPOUNDS USEFUL FOR TREATING AIDS SOCIÉTÉ SPLICOS (FR) 2010-12-16 WO claimed
WO-2010143168-A2 COMPOUNDS USEFUL FOR TREATING CANCER SOCIÉTÉ SPLICOS (FR) 2010-12-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 632/4885RAB9A 4149/4885NPC1 45/4885
US-20120277230-A1 COMPOUNDS USEFUL FOR TREATING CANCER CBR1, CBR3, NCOR1 NCF1 717/4885RAB9A 4050/4885NPC1 129/4885
US-20120329796-A1 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA NR2C2, NCOR2, NR4A2 NCF1 834/4885RAB9A 4270/4885NPC1 144/4885
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES RCOR1, CBR1, RCOR3 NCF1 731/4885RAB9A 3396/4885NPC1 126/4885
US-20140080831-A1 COMPOUNDS USEFUL FOR TREATING CANCER NR1H4, NR1H3, NCOR1 NCF1 810/4885RAB9A 1904/4885NPC1 60/4885

“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.