SCHEMBL3490679

SCHEMBL3490679

Cc1ccnc(-c2cccc(N)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 1/20 0.61
CYP2A6 P11509 1/20 0.57
CCR1 P32246 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 1/20 0.55
ASIC3 Q9UHC3 2/20 0.55
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 5/20 0.48
GFER P55789 2/20 0.48
POLB P06746 1/20 0.48
MAP4K4 O95819 3/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 2/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
CNR1 P21554 1/20 0.47
NPC1 O15118 4/20 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
SCHEMBL30469353 1.00 KARS1 (0.61) KARS1CYP2A6CCR1CCR5CCR8
SCHEMBL12408987 0.85 CYP2A6 (0.65) CYP2A6CCR1CCR5CCR8ALDH1A1
SCHEMBL13574183 0.82 KDR (0.56) KARS1CYP2A6
SCHEMBL2479816 0.80 CYP2A6 (0.59) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL842170 0.79 CYP2A6 (0.67) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL21386824 0.79 CCR1 (0.74) KARS1CYP2A6CCR1CCR5CCR8
SCHEMBL29446990 0.79 CYP2A6 (0.67) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL23525600 0.79 CYP2A6 (0.57) CYP2A6CCR1CCR5CCR8CNR1
SCHEMBL17051592 0.79 CYP2A6 (0.57) KARS1CYP2A6CCR1CCR5CCR8
SCHEMBL23525618 0.79 CYP2A6 (0.57) CYP2A6CCR1CCR5CCR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US claimed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP claimed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO claimed
EP-4596563-A2 ELECTROCHEMICAL BIOSENSOR COMPRISING TRANSITION METAL COMPLEX OR OXIDATION-REDUCTION POLYMER i-Sens, Inc. (KR) 2025-08-06 EP disclosed
US-20250244282-A1 ELECTROCHEMICAL BIOSENSOR COMPRISING TRANSITION METAL COMPLEX OR OXIDATION-REDUCTION POLYMER I SENS INC (KR) 2025-07-31 US disclosed
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 US disclosed
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2021-10-28 US disclosed
US-11084781-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE (US) 2021-08-10 US disclosed
EP-3621951-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS Research Triangle Institute (US) 2020-03-18 EP disclosed
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-27 US disclosed
WO-2018209030-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2018-11-15 WO disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
CN-101627042-A Substituted piperidines containing a heteroarylamide or heteroarylphenyl moiety ASTEX THERAPEUTICS LTD 2010-01-13 CN disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 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-20250244282-A1 ELECTROCHEMICAL BIOSENSOR COMPRISING TRANSITION METAL COMPLEX OR OXIDATION-REDUCTION POLYMER APEX1, SPR, MT-ND6 KARS1 1686/4885CYP2A6 1464/4885CCR1 3963/4885
US-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 KARS1 4575/4885CYP2A6 653/4885CCR1 1239/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 KARS1 4575/4885CYP2A6 653/4885CCR1 1239/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 KARS1 4575/4885CYP2A6 653/4885CCR1 1239/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 KARS1 4575/4885CYP2A6 653/4885CCR1 1239/4885
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 KARS1 2853/4885CYP2A6 1058/4885CCR1 3337/4885

“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.