Sugi Predict

Sugi Predict / Compounds / SCHEMBL2149347

SCHEMBL2149347

SCHEMBL2149347

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.35
▸ CCNT2 O60583 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ NFKB1 P19838 10/20 0.34
▸ ATF1 P18846 7/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ JUN P05412 4/20 0.33
▸ NFKB2 Q00653 4/20 0.33
▸ RELA Q04206 4/20 0.33
▸ XPO1 O14980 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL2149345 0.83 CDK1 (0.45) CCNT1CCNT2CCNB2CDK1CDK4
SCHEMBL1774548 0.79 CDK1 (0.47) CCNT1CCNT2CCNB2CDK1CDK4
SCHEMBL14140885 0.79 CDK1 (0.47) CCNT1CCNT2CCNB2CDK1CDK4
SCHEMBL30860873 0.76 LRRK2 (0.38) CCNT1CCNT2CCNB2CDK1CDK4
SCHEMBL27228246 0.76 LRRK2 (0.38) CCNT1CCNT2CCNB2CDK1CDK4
SCHEMBL2148905 0.74 LRRK2 (0.37) CCNT1CCNT2CCNB2CDK1CDK4
SCHEMBL2522284 0.74 LRRK2 (0.37) CCNT1CCNT2CCNB2CDK1CDK4
SCHEMBL1936959 0.71 KDM4E (0.39) CCNT1CDK1CDK2LRRK2KDM4E
SCHEMBL26664440 0.71 TRPM8 (0.37) CCNT1CCNT2CCNB2CDK1CDK4
SCHEMBL31081933 0.71 TRPM8 (0.37) CCNT1CCNT2CCNB2CDK1CDK4

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 5 patents. 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-20110251222-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 — — US disclosed
EP-2342185-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE Bayer Schering Pharma Aktiengesellschaft (DE) 2011-07-13 — — EP disclosed
WO-2010046034-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 — — 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 (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-20110251222-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE CDK6, CDK4, CDK2 CCNT1 30/4885CCNT2 33/4885CCNB2 50/4885

“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.