SCHEMBL13557884

SCHEMBL13557884

CN(c1ccccn1)c1cnc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ GAA P10253 3/20 0.46
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ HPGD P15428 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13557874 0.86 RAB9A (0.50) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL30695438 0.81 CYP2D6 (0.50) KDM4ESMN1; SMN2L3MBTL1CYP2D6CYP2C19
SCHEMBL231127 0.81 CYP2D6 (0.57) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL13641041 0.81 RAB9A (0.44) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL13557859 0.79 NCF1 (0.59) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
Methane SCHEMBL28533749 0.79 CYP2D6 (0.55) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL6775520 0.79 CYP2D6 (0.55) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL13557867 0.79 KDM4E (0.47) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL7048629 0.77 NCF1 (0.55) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL4904986 0.77 CYP2D6 (0.50) KDM4ESMN1; SMN2L3MBTL1CYP2D6CYP2C19

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017498-B2 Compounds useful for treating AIDS ABIVAX (FR) 2018-07-10 — — US disclosed
US-9908869-B2 Compounds useful for treating aids ABIVAX (FR) 2018-03-06 — — US disclosed
US-9827237-B2 Compounds useful for treating diseases caused by retroviruses ABIVAX (FR) 2017-11-28 — — US disclosed
US-20170226095-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING ABIVAX (FR) 2017-08-10 — — US disclosed
US-9637475-B2 Compounds for treating cancer ABIVAX (FR) 2017-05-02 — — US disclosed
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES ABIVAX (FR) 2016-06-02 — — US disclosed
US-20150307478-A1 COMPOUNDS USEFUL FOR TREATING AIDS UNIVERSITE DE MONTPELLIER (FR) 2015-10-29 — — US disclosed
US-20150299129-A1 COMPOUNDS FOR TREATING CANCER UNIVERSITE DE MONTPELLIER (FR) 2015-10-22 — — US disclosed
US-9145367-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-09-29 — — US disclosed
US-9108919-B2 Compounds useful for treating cancer ABIVAX (FR) 2015-08-18 — — US disclosed
US-20140288120-A1 COMPOUNDS USEFUL FOR TREATING AIDS SOCIETE SPLICOS (FR) 2014-09-25 — — US disclosed
US-20140080831-A1 COMPOUNDS USEFUL FOR TREATING CANCER CENTRE NATIONALE DE RECHERCHE SCIENTIFIQUE (FR) 2014-03-20 — — US disclosed
US-20120329796-A1 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA SOCIETE SPLICOS (FR) 2012-12-27 — — US disclosed
US-20120283265-A1 COMPOUNDS USEFUL FOR TREATING AIDS SOCIETE SPLICOS (FR) 2012-11-08 — — US disclosed
US-20120277230-A1 COMPOUNDS USEFUL FOR TREATING CANCER SOCIETE SPLICOS (FR) 2012-11-01 — — 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 (10 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-20170226095-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING RCOR1, NR3C1, NR5A1 RAB9A 2148/4885KDM4E 3655/4885NPC1 80/4885
US-10017498-B2 Compounds useful for treating AIDS NR1H3, NR1H2, NR1H4 RAB9A 1953/4885KDM4E 3991/4885NPC1 7/4885
US-20120283265-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR1, CNR1, CBR3 RAB9A 4149/4885KDM4E 3299/4885NPC1 45/4885
US-20140288120-A1 COMPOUNDS USEFUL FOR TREATING AIDS NR1H3, NR3C1, NR3C2 RAB9A 2393/4885KDM4E 3904/4885NPC1 45/4885
US-20120277230-A1 COMPOUNDS USEFUL FOR TREATING CANCER CBR1, CBR3, NCOR1 RAB9A 4050/4885KDM4E 2650/4885NPC1 129/4885
US-20150299129-A1 COMPOUNDS FOR TREATING CANCER NR1H4, NR1H3, NCOR1 RAB9A 1874/4885KDM4E 3841/4885NPC1 64/4885
US-20120329796-A1 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA NR2C2, NCOR2, NR4A2 RAB9A 4270/4885KDM4E 3675/4885NPC1 144/4885
US-20150307478-A1 COMPOUNDS USEFUL FOR TREATING AIDS NR1H3, NR1H2, NR1H4 RAB9A 1953/4885KDM4E 3991/4885NPC1 7/4885
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES RCOR1, CBR1, RCOR3 RAB9A 3396/4885KDM4E 2880/4885NPC1 126/4885
US-20140080831-A1 COMPOUNDS USEFUL FOR TREATING CANCER NR1H4, NR1H3, NCOR1 RAB9A 1904/4885KDM4E 3883/4885NPC1 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.

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