SCHEMBL2300938

SCHEMBL2300938

CCS(=O)(=NC(=O)C(F)(F)F)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
MPO P05164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR6 P50406 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
AGO2 Q9UKV8 2/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL2303282 0.81 TSHR (0.44) GAACA1CA2CA12CA9
SCHEMBL883462 0.81 TSHR (0.44) GAACA1CA2CA12CA9
SCHEMBL2302403 0.81 HSD11B1 (0.48) GAACA1CA2CA12CA9
SCHEMBL13984630 0.80 GAA (0.48) GAACA1CA2CA12CA9
SCHEMBL24499843 0.76 MAPT (0.47) GAALMNAALDH1A1PKMTDP1
SCHEMBL2818296 0.75 POLB (0.55) GAACA1CA2CA12CA9
SCHEMBL21299378 0.74 CA2 (0.49) GAACA1CA2CA12CA9
SCHEMBL21764415 0.73 ATR (0.36) CYP2C9ALDH1A1ATR
SCHEMBL883461 0.73 TSHR (0.39) CA1CA2CA12CA9TSHR
SCHEMBL874727 0.73 TSHR (0.39) CA1CA2CA12CA9TSHR

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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 GAA 2025/4885CA1 4288/4885CA2 4179/4885

“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.