Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2149345

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.45
CDK2 P24941 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNT2 O60583 1/20 0.45
CCNB2 O95067 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
XPO1 O14980 4/20 0.35
NFKB1 P19838 11/20 0.34
ATF1 P18846 8/20 0.34
JUN P05412 4/20 0.34
NFKB2 Q00653 4/20 0.34
RELA Q04206 4/20 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
SCHEMBL1774548 0.92 CDK1 (0.47) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL14140885 0.92 CDK1 (0.47) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL2149347 0.83 CCNT1 (0.35) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL27228246 0.78 LRRK2 (0.38) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL30860873 0.78 LRRK2 (0.38) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL2148905 0.76 LRRK2 (0.37) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL2522284 0.76 LRRK2 (0.37) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL26664440 0.73 TRPM8 (0.37) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL31081933 0.73 TRPM8 (0.37) CDK1CDK2CCNT1CCNT2CCNB2
SCHEMBL25205003 0.73 PTK2 (0.44) ALDH1A1XPO1NFKB1ATF1JUN

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 CDK1 9/4885CDK2 3/4885CCNT1 30/4885

“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.