SCHEMBL1701943

SCHEMBL1701943

c1cncc(Nc2cnc3ccccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP2A6 P11509 1/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RAD52 P43351 1/20 0.54
KMT2A Q03164 1/20 0.54
GRM4 Q14833 1/20 0.52
IGF1R P08069 6/20 0.52
PDE5A O76074 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PIK3CA P42336 1/20 0.48
TNF P01375 1/20 0.48
CYP17A1 P05093 1/20 0.48
KDR P35968 1/20 0.47

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
SCHEMBL2111139 0.84 KDM4E (0.58) RAB9ANPC1SMN1; SMN2KDM4EGRM4
SCHEMBL1703187 0.83 NPC1 (0.60) RAB9ANPC1SMN1; SMN2CYP2A6KDM4E
Hydrochloric Acid SCHEMBL9394534 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL1702273 0.79 IGF1R (0.55) RAB9ANPC1SMN1; SMN2CYP2A6GRM4
SCHEMBL3928128 0.79 CYP2A6 (0.57) RAB9ANPC1SMN1; SMN2CYP2A6KDM4E
SCHEMBL22109526 0.78 ALDH1A1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL28857363 0.78 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL14929849 0.78 RAB9A (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1RAD52
SCHEMBL14909734 0.77 NPC1 (0.48) RAB9ANPC1SMN1; SMN2GRM4PDE5A
Quinoline SCHEMBL5165899 0.77 IGF1R (0.55) RAB9ANPC1KDM4EL3MBTL1RAD52

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 118 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
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-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
WO-2010143168-A2 COMPOUNDS USEFUL FOR TREATING CANCER 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
WO-2010143169-A2 COMPOUNDS USEFUL FOR TREATING AIDS SOCIÉTÉ SPLICOS (FR) 2010-12-16 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 (6 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 RAB9A 4149/4885NPC1 45/4885SMN1; SMN2 4559/4885
US-20120277230-A1 COMPOUNDS USEFUL FOR TREATING CANCER CBR1, CBR3, NCOR1 RAB9A 4050/4885NPC1 129/4885SMN1; SMN2 4495/4885
US-20240343716-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING RCOR1, NR3C1, NR5A1 RAB9A 2148/4885NPC1 80/4885SMN1; SMN2 3125/4885
US-20120329796-A1 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA NR2C2, NCOR2, NR4A2 RAB9A 4270/4885NPC1 144/4885SMN1; SMN2 1391/4885
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES RCOR1, CBR1, RCOR3 RAB9A 3396/4885NPC1 126/4885SMN1; SMN2 2094/4885
US-20140080831-A1 COMPOUNDS USEFUL FOR TREATING CANCER NR1H4, NR1H3, NCOR1 RAB9A 1904/4885NPC1 60/4885SMN1; SMN2 4475/4885

“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.