SCHEMBL8992099

SCHEMBL8992099

Cc1nc(C)c(C(N)=O)nc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.45
SOAT1 P35610 8/20 0.44
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PKM P14618 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KAT2B Q92831 1/20 0.41
CA12 O43570 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
CA1 P00915 4/20 0.40
PDPK1 O15530 1/20 0.38
FAAH O00519 1/20 0.37
CHRM2 P08172 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL7718725 0.95 KDM4E (0.44) DGAT1SOAT1KDM4ELMNAADORA3
SCHEMBL28275637 0.86 KDM4E (0.42) DGAT1SOAT1KDM4ELMNAADORA3
SCHEMBL2124976 0.81 POLB (0.41) DGAT1SOAT1KDM4ELMNAADORA2A
SCHEMBL30793018 0.80 PDPK1 (0.50) DGAT1KDM4ELMNAADORA3PKM
SCHEMBL26039163 0.80 PDPK1 (0.50) DGAT1KDM4ELMNAADORA3PKM
SCHEMBL7135206 0.78 POLB (0.42) DGAT1SOAT1KDM4EFAAHCHRM2
SCHEMBL21384412 0.78 DGAT1 (0.36) DGAT1SOAT1KDM4ELMNAADORA3
SCHEMBL30591996 0.78 DGAT1 (0.36) DGAT1SOAT1KDM4ELMNAADORA3
SCHEMBL2406658 0.76 CA12 (0.48) CA12CA2CA9CA1
SCHEMBL29467764 0.76 CA12 (0.48) CA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485273-A N- (heterocyclyl and heterocyclylalkyl) -3-benzylpyridin-2-amine derivatives as SSTR4 agonists 武田药品工业株式会社 2022-12-16 CN claimed
WO-2023072191-A1 PYRROLOPYRAZOLE SPIRO COMPOUND 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
CN-115485273-A N- (heterocyclyl and heterocyclylalkyl) -3-benzylpyridin-2-amine derivatives as SSTR4 agonists 武田药品工业株式会社 2022-12-16 CN disclosed
CN-109069514-A Antimicrobial compound and application thereof 结核病药物开发全球联盟公司 2018-12-21 CN disclosed
CN-105829294-B The quinolyl conditioning agent of ROR- γ-T being connect with methylene 詹森药业有限公司 2018-11-09 CN disclosed
CN-105848483-A Quinolinyl modulators of roryt 詹森药业有限公司 2016-08-10 CN disclosed
CN-105829294-A METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T 詹森药业有限公司 2016-08-03 CN disclosed
CN-103140486-B Co-crystals and salts of CCR 3-inhibitors 贝林格尔.英格海姆国际有限公司 2016-08-03 CN disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 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 (2 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-20100324068-A1 CHEMICAL COMPOUNDS 785 GPBAR1, DGAT1, GPR119 DGAT1 2/4885SOAT1 11/4885KDM4E 2095/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 DGAT1 1/4885SOAT1 9/4885KDM4E 2115/4885

“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.