SCHEMBL874727

SCHEMBL874727

Nc1ccc(S(=O)(=NC(=O)C(F)(F)F)C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
LMNA P02545 2/20 0.39
MPO P05164 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NT5E P21589 1/20 0.37
AGO2 Q9UKV8 2/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
GCK P35557 1/20 0.34
CA1 P00915 8/20 0.34
CA2 P00918 8/20 0.34
CA12 O43570 7/20 0.34
CA9 Q16790 7/20 0.34

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
SCHEMBL883461 1.00 TSHR (0.39) TSHRLMNAMPOCYP3A4CYP2C9
SCHEMBL874978 0.82 HSD11B1 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL883115 0.82 HSD11B1 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL23611866 0.77 F2 (0.39) TSHRLMNAALDH1A1NT5EAGO2
SCHEMBL883462 0.75 TSHR (0.44) TSHRLMNAMPOCYP3A4CYP2C9
SCHEMBL2303282 0.75 TSHR (0.44) TSHRLMNAMPOCYP3A4CYP2C9
SCHEMBL2303076 0.73 POLB (0.49) LMNACYP3A4ALDH1A1F2PRSS1
SCHEMBL2303074 0.73 POLB (0.49) LMNACYP3A4ALDH1A1F2PRSS1
SCHEMBL2815999 0.73 POLB (0.49) LMNACYP3A4ALDH1A1F2PRSS1
SCHEMBL2300938 0.73 GAA (0.43) TSHRLMNAMPOCYP3A4CYP2C9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
EP-2350026-B1 SULFOXIMINE SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2014-06-18 EP disclosed
EP-2350026-B1 SULFOXIMINE SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2014-06-18 EP disclosed
US-8735412-B2 Sulfoximine-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-27 US disclosed
US-8735412-B2 Sulfoximine-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-27 US disclosed
US-8735412-B2 Sulfoximine-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-27 US disclosed
US-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 US disclosed
US-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 US disclosed
WO-2012038411-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-29 WO disclosed
WO-2012038411-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-29 WO disclosed
US-20110294838-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 US disclosed
US-20110294838-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 US disclosed
US-20110294838-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 US disclosed
EP-2350026-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-03 EP disclosed
WO-2010046035-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 WO disclosed
WO-2010046035-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 WO disclosed
EP-2179991-A1 Sulfoximine substituted aniline pyrimidine derivatives as CDK inhibitors, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
EP-2179991-A1 Sulfoximine substituted aniline pyrimidine derivatives as CDK inhibitors, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 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 (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-20110294838-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE CDK6, CDK4, CDK9 TSHR 3216/4885LMNA 4343/4885MPO 2912/4885
US-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION CDK1, CDK9, CDK6 TSHR 3781/4885LMNA 1172/4885MPO 4604/4885

“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.