SCHEMBL6803732

SCHEMBL6803732

Cc1cn(-c2cccc(N)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.55
CYP2E1 P05181 1/20 0.54
CYP2A6 P11509 1/20 0.54
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA2C P18825 1/20 0.42

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
SCHEMBL29614831 1.00 NR2E1 (0.55) NR2E1CYP2E1CYP2A6MAPTKDM4E
SCHEMBL29431739 0.79 CYP2E1 (0.54) NR2E1CYP2E1CYP2A6MAOAMAOB
SCHEMBL12146179 0.79 KDM2B (0.55) NR2E1CYP2E1CYP2A6MAPTKDM4E
SCHEMBL9451324 0.79 CYP2E1 (0.54) NR2E1CYP2E1CYP2A6MAOAMAOB
SCHEMBL3562687 0.79 CYP2E1 (0.54) NR2E1CYP2E1CYP2A6MEN1ALDH1A1
SCHEMBL3779157 0.79 MAPT (0.52) NR2E1MAPTKDM4EMEN1ALDH1A1
SCHEMBL264998 0.78 CYP1A2 (0.56) NR2E1CYP2E1CYP2A6MAPTMAOA
SCHEMBL22199096 0.78 CYP2E1 (0.53) CYP2E1CYP2A6MAPTALDH1A1MAOA
SCHEMBL2283022 0.77 CYP2E1 (0.65) NR2E1CYP2E1CYP2A6MAOAMAOB
SCHEMBL12354425 0.77 NR2E1 (0.65) NR2E1CYP2E1CYP2A6ALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4650002-A1 ANILINE-BASED MODULATORS OF THE NUCLEAR RECEPTOR TLX (NR2E1) Ludwig-Maximilians-Universität (DE) 2025-11-19 EP disclosed
WO-2025229046-A1 SUBSTITUTED HYDROQUINOLINES FOR THE TREATMENT OF GLIOBLASTOMA MULTIFORME MOLIUS SAGLIK TEKNOLOJILERI ANONIM SIRKETI (TR) 2025-11-06 WO disclosed
EP-4644375-A1 SUBSTITUTED HYDROQUINOLINES FOR THE TREATMENT OF GLIOBLASTOMA MULTIFORME Molius Saglik Teknolojileri Anonim Sirketi (TR) 2025-11-05 EP disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
US-5432189-A Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1995-07-11 US disclosed
US-5350759-A Bis-aryl urea compounds WISSNER ALLAN (US) 1994-09-27 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed
EP-0458037-A1 Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1991-11-27 EP 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-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NR2E1 216/4885CYP2E1 379/4885CYP2A6 470/4885
US-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 NR2E1 326/4885CYP2E1 77/4885CYP2A6 210/4885
US-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A NR2E1 1288/4885CYP2E1 335/4885CYP2A6 241/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NR2E1 202/4885CYP2E1 481/4885CYP2A6 186/4885

“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.