SCHEMBL1774548

SCHEMBL1774548

C[C@@H](O)[C@@H](C)Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.47
CDK2 P24941 4/20 0.47
CDK4 P11802 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNT1 O60563 1/20 0.47
CCNT2 O60583 1/20 0.47
CCNB2 O95067 1/20 0.47
CCND1 P24385 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.35
LRRK2 Q5S007 5/20 0.35
CYP1A2 P05177 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AURKA O14965 1/20 0.34
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
NFKB1 P19838 3/20 0.33

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
SCHEMBL14140885 1.00 CDK1 (0.47) CDK1CDK2CDK4CCNB1CCNT1
Trifluoroacetic Acid SCHEMBL2149345 0.92 CDK1 (0.45) CDK1CDK2CDK4CCNB1CCNT1
SCHEMBL30860873 0.84 LRRK2 (0.38) CDK1CDK2CDK4CCNB1CCNT1
SCHEMBL27228246 0.84 LRRK2 (0.38) CDK1CDK2CDK4CCNB1CCNT1
SCHEMBL2148905 0.82 LRRK2 (0.37) CDK1CDK2CDK4CCNB1CCNT1
SCHEMBL2522284 0.82 LRRK2 (0.37) CDK1CDK2CDK4CCNB1CCNT1
SCHEMBL2149347 0.79 CCNT1 (0.35) CDK1CDK2CDK4CCNB1CCNT1
SCHEMBL26664440 0.79 TRPM8 (0.37) CDK1CDK2CDK4CCNB1CCNT1
SCHEMBL31081933 0.79 TRPM8 (0.37) CDK1CDK2CDK4CCNB1CCNT1
SCHEMBL13648310 0.77 CDK1 (0.49) CDK1CDK2CCNB1LATS1LATS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342185-B1 SULFON SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-8802686-B2 Sulfone-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as a medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
US-8802686-B2 Sulfone-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as a medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
US-8802686-B2 Sulfone-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as a medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 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
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-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 US disclosed
EP-1939185-A1 New types of hetaryl-phenylendiamin-pyrimidines as protein kinase inhibitors for the treatment of cancer Bayer Schering Pharma Aktiengesellschaft (DE) 2008-07-02 EP disclosed
WO-2008074515-A1 NOVEL HETARYL-PHENYLENE-DIAMINE PYRIMIDINE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-26 WO disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
WO-2008025556-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 WO disclosed
WO-2008025556-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 WO disclosed
WO-2007140957-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-13 WO disclosed
WO-2007140957-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-13 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 (3 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 CDK1 6/4885CDK2 4/4885CDK4 2/4885
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS PRKCE, BRAF, PACSIN2 CDK1 160/4885CDK2 49/4885CDK4 373/4885
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors CABLES1, CKS2, CDK2AP1 CDK1 6/4885CDK2 4/4885CDK4 151/4885

“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.