Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL19475288

Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCNCC5)cn4)ncc3F)cc2n1C(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.75
CDK6 Q00534 16/20 0.75
CDK2 P24941 14/20 0.75
CDK1 P06493 11/20 0.75
CCNB1 P14635 6/20 0.75
CCNA2 P20248 5/20 0.75
CCND3 P30281 5/20 0.75
CCNE1 P24864 5/20 0.75
CDK7 P50613 4/20 0.75
CDK9 P50750 4/20 0.75
KDR P35968 2/20 0.75
CIT O14578 1/20 0.75
GAK O14976 1/20 0.75
DYRK3 O43781 1/20 0.75
CCNT1 O60563 1/20 0.75
STK16 O75716 1/20 0.75
CCNK O75909 1/20 0.75
STK10 O94804 1/20 0.75
PRKD3 O94806 1/20 0.75
ABCB11 O95342 1/20 0.75

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 SCHEMBL29669642 1.00 CDK4 (0.75) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL30459468 0.94 CDK4 (0.84) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL30460094 0.94 CDK4 (0.84) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL2490067 0.94 CDK4 (0.84) CDK4CDK6CDK2CDK1CCNB1
Trifluoroacetic Acid SCHEMBL30584528 0.90 CDK4 (0.75) CDK4CDK6CDK2CDK1CCNB1
Trifluoroacetic Acid SCHEMBL20838466 0.89 CDK4 (0.74) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL22581106 0.89 CDK4 (0.82) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL17488760 0.88 CDK4 (0.88) CDK4CDK6CDK2CDK1CCNB1
Trifluoroacetic Acid SCHEMBL29443175 0.87 CDK4 (0.63) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL21658739 0.87 CDK4 (0.87) CDK4CDK6CDK2CDK1CCNB1

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
CN-109071552-B Degradation of cyclin dependent kinase 4/6(CDK4/6) by conjugation of CDK4/6 inhibitors to E3 ligase ligands and methods of use 达纳-法伯癌症研究所公司 2022-06-03 CN disclosed
US-20210340140-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 4/6 (CDK4/6) BY CONJUGATION OF CDK4/6 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-04 US disclosed
US-10865204-B2 Degradation of cyclin-dependent kinase 4/6 (CDK4/6) by conjugation of CDK4/6 inhibitors with E3 ligase ligand and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-15 US disclosed
US-20190092768-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 4/6 (CDK4/6) BY CONJUGATION OF CDK4/6 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 US disclosed
WO-2017185031-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 4/6 (CDK4/6) BY CONJUGATION OF CDK4/6 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-26 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-10865204-B2 Degradation of cyclin-dependent kinase 4/6 (CDK4/6) by conjugation of CDK4/6 inhibitors with E3 ligase ligand and methods of use CDK6, CDK4, CDKL4 CDK4 2/4885CDK6 1/4885CDK2 10/4885
US-20210340140-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 4/6 (CDK4/6) BY CONJUGATION OF CDK4/6 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE CDK6, CDK4, CDKL4 CDK4 2/4885CDK6 1/4885CDK2 10/4885
US-20190092768-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 4/6 (CDK4/6) BY CONJUGATION OF CDK4/6 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE CDK6, CDK4, CDKL4 CDK4 2/4885CDK6 1/4885CDK2 10/4885

“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.