SCHEMBL2303282

SCHEMBL2303282

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.44
MPO P05164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR6 P50406 1/20 0.44
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
AGO2 Q9UKV8 2/20 0.43
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
NT5E P21589 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
DHFR P00374 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41

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
SCHEMBL883462 1.00 TSHR (0.44) TSHRLMNAMPOCYP3A4CYP2C9
SCHEMBL18148609 0.83 F2 (0.42) LMNAF2PRSS1PRSS2PRSS3
SCHEMBL2300938 0.81 GAA (0.43) TSHRLMNAMPOCYP3A4CYP2C9
SCHEMBL10051833 0.80 HSD11B1 (0.50) LMNACYP3A4F2PRSS1PRSS2
SCHEMBL2301608 0.80 HSD11B1 (0.50) LMNACYP3A4F2PRSS1PRSS2
SCHEMBL23145884 0.80 ATR (0.40) ALDH1A1SMN1; SMN2CA1CA2ATR
SCHEMBL20955611 0.79 F2 (0.48) TSHRLMNAMPOCYP3A4CYP2C9
SCHEMBL3468702 0.78 CA12 (0.44) TSHRCYP3A4F2PRSS1PRSS2
SCHEMBL835022 0.76 ATR (0.37) ALDH1A1CA1CA2CA12CA9
SCHEMBL883461 0.75 TSHR (0.39) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 US disclosed
EP-3604281-A1 2(1H)-QUINOLINONE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2020-02-05 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
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
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-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TOP2A, TOP2B, TOP1 TSHR 4265/4885LMNA 741/4885MPO 688/4885

“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.