SCHEMBL88996

SCHEMBL88996

CCc1cc(C(=O)O)cc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TTR P02766 1/20 0.39
CTRC Q99895 2/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DAO P14920 1/20 0.38
MAPK1 P28482 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 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
SCHEMBL1424790 0.86 ALOX15 (0.48) TPMTNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL1425679 0.84 ALOX15 (0.46) TPMTNPC1RAB9AMEN1KMT2A
SCHEMBL2526042 0.83 TPMT (0.43) TPMTALOX15TSHRHIF1ATTR
SCHEMBL1577579 0.83 CTRC (0.53) CTRCHCAR2
SCHEMBL26027616 0.82 CYP2C19 (0.49) RAB9AMEN1KMT2AALOX15CYP2C19
SCHEMBL2532513 0.81 TPMT (0.39) TPMTALOX15TSHRHIF1ATTR
SCHEMBL21158928 0.81 ALDH1A1 (0.48) MEN1KMT2ATSHRCYP2C19ALDH1A1
SCHEMBL13424712 0.81 TPMT (0.38) TPMTALOX15TSHRHIF1ATTR
Hydrochloric Acid SCHEMBL3214232 0.80 TPMT (0.37) TPMTALOX15TSHRHIF1ATTR
SCHEMBL29965908 0.80 CA12 (0.50) RAB9AMEN1KMT2ACYP2C19ALDH1A1

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 19 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
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
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
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
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
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
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
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US 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
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20160143893-A1 SULFOXIMINE SUBSTITUTED 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES AND THEIR USE AS CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 TPMT 137/4885NPC1 4699/4885RAB9A 909/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TPMT 877/4885NPC1 2676/4885RAB9A 500/4885

“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.