SCHEMBL6797387

SCHEMBL6797387

Nc1cccc(C=Cc2ccccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
NPC1 O15118 5/20 0.61
MAPT P10636 2/20 0.61
GFER P55789 1/20 0.61
KDM1A O60341 2/20 0.58
RAB9A P51151 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 2/20 0.56
GRM4 Q14833 3/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL6797384 1.00 CYP19A1 (0.63) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL16070464 0.81 NPC1 (0.53) CYP19A1NPC1MAPTKDM1ARAB9A
SCHEMBL2774526 0.80 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL2774532 0.80 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL29664559 0.80 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL4638429 0.79 MEN1 (0.64) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL16070584 0.79 MEN1 (0.64) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL31611950 0.79 MEN1 (0.64) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL1906539 0.79 NPC1 (0.60) NPC1MAPTKDM1ARAB9AMEN1
SCHEMBL4712207 0.79 NPC1 (0.58) MAOBNPC1MAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity ABIVAX (FR) 2020-01-21 US disclosed
US-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY ABIVAX (FR) 2018-05-10 US disclosed
US-9890112-B2 Compounds for use as therapeutic agents affecting p53 expression and/or activity ABIVAX (FR) 2018-02-13 US disclosed
US-20140206690-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIETE SPLICOS (FR) 2014-07-24 US disclosed
EP-2694061-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY Société Splicos (FR) 2014-02-12 EP disclosed
WO-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 WO disclosed
EP-2505198-A1 Compounds for use as therapeutic agents affecting p53 expression and/or activity Société Splicos (FR) 2012-10-03 EP disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (4 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-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, TP53BP1, BCOR CYP19A1 2298/4885MAOA 3592/4885MAOB 3290/4885
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity TP53, TP53BP1, BCOR CYP19A1 2298/4885MAOA 3592/4885MAOB 3290/4885
US-20140206690-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, CBR3, TP53BP1 CYP19A1 2173/4885MAOA 3492/4885MAOB 3232/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 CYP19A1 488/4885MAOA 1247/4885MAOB 406/4885

“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.