Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2679822

CS(=O)(=O)N1CCC(Nc2n[nH]c3c2nc(-c2c(F)cccc2F)c2cc(C#N)ccc23)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 16/20 0.44
IRAK4 Q9NWZ3 1/20 0.40
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CDK2 P24941 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CCND3 P30281 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK6 Q00534 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL703349 0.94 IRAK4 (0.44) GPR6IRAK4CDK1CDK4CCND1
SCHEMBL703968 0.87 JAK2 (0.38) GPR6IRAK4CDK2CCNT1CCNE1
SCHEMBL698566 0.87 JAK2 (0.39) GPR6IRAK4CDK1CDK4CCND1
SCHEMBL706896 0.86 MAPK14 (0.43) IRAK4CDK1CDK4CCND1CDK2
SCHEMBL703800 0.86 IRAK4 (0.44) GPR6IRAK4CDK1CDK4CCND1
SCHEMBL708407 0.85 MAPK14 (0.43) CDK1CDK4CCND1CDK2CCNB1
SCHEMBL703045 0.84 MAPK14 (0.51) GPR6CDK1CDK4CCND1CDK2
SCHEMBL704772 0.83 CDK2 (0.44) CDK1CDK4CCND1CDK2CCNT1
SCHEMBL31448368 0.83 CDK2 (0.44) CDK1CDK4CCND1CDK2CCNT1
SCHEMBL2680449 0.82 MAPK14 (0.43) CDK1CDK4CCND1CDK2CCNB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US 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-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS GPR6 2369/4885IRAK4 2788/4885CDK1 601/4885

“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.