SCHEMBL56627

SCHEMBL56627

CCc1cc(C(=O)O)cc(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GPR84 Q9NQS5 8/20 0.42
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CYP2C19 P33261 1/20 0.40
DAO P14920 1/20 0.39
TPMT P51580 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL8885796 0.85 MPO (0.51) ALDH1A1GPR84LMNAHCAR2CYP2C19
SCHEMBL3676992 0.82 GPR84 (0.55) GPR84HCAR2
SCHEMBL6612480 0.82 SMN1; SMN2 (0.40) ALDH1A1GPR84LMNACYP2C19TPMT
SCHEMBL23684463 0.80 GPR84 (0.43) ALDH1A1GPR84LMNACYP2C19DAO
SCHEMBL9412488 0.80 MAPT (0.53) ALDH1A1GPR84LMNAHCAR2CYP2C19
SCHEMBL26347436 0.80 PLK1 (0.49) GPR84LMNA
SCHEMBL4649358 0.80 TSHR (0.40) GPR84SMN1; SMN2
SCHEMBL26337310 0.79 GPR84 (0.42) GPR84SMN1; SMN2
SCHEMBL6613866 0.75 SMN1; SMN2 (0.57) GPR84HCAR2DAOSMN1; SMN2
SCHEMBL3672125 0.74 ALDH1A1 (0.37) ALDH1A1GPR84LMNACYP2C19

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-105492438-B Sulfomimine substituted 5-fluoro-N- (pyridin-2-yl) pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors 拜耳医药股份有限公司 2018-08-07 CN disclosed
US-9770445-B2 Sulfoximine substituted 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
EP-3016945-B1 SULFOXIMINE SUBSTITUTED 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES AND THEIR USE AS CDK9 KINASE INHIBITORS Bayer Pharma AG (DE) 2017-05-03 EP disclosed
US-20160143893-A1 SULFOXIMINE SUBSTITUTED 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES AND THEIR USE AS CDK9 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-26 US disclosed
EP-3016945-A1 SULFOXIMINE SUBSTITUTED 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES AND THEIR USE AS CDK9 KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-05-11 EP disclosed
CN-105492438-A Sulfomimine substituted 5-fluoro-N- (pyridin-2-yl) pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors Bayer Pharma AG 2016-04-13 CN disclosed
WO-2015001021-A1 SULFOXIMINE SUBSTITUTED 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES AND THEIR USE AS CDK9 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-08 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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-20160143893-A1 SULFOXIMINE SUBSTITUTED 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES AND THEIR USE AS CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 ALDH1A1 2692/4885GPR84 3492/4885LMNA 2081/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885GPR84 1423/4885LMNA 1594/4885

“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.