Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4093555

COc1cc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)cc(OC)c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 3/20 0.48
CCNK O75909 3/20 0.48
CDK12 Q9NYV4 3/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
JAK1 P23458 4/20 0.45
CIT O14578 2/20 0.45
GRM4 Q14833 1/20 0.44
TNIK Q9UKE5 1/20 0.44
JAK2 O60674 1/20 0.43
KLKB1 P03952 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
BRAF P15056 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL99955 0.91 CCNK (0.56) ROCK2ROCK1CCNKCDK12AURKA
SCHEMBL29540648 0.91 CCNK (0.56) ROCK2ROCK1CCNKCDK12AURKA
Trifluoroacetic Acid SCHEMBL4082781 0.86 JAK1 (0.55) ROCK1CCNKCDK12AURKAAURKB
Trifluoroacetic Acid SCHEMBL4086708 0.85 JAK1 (0.46) ROCK2ROCK1CCNKCDK12AURKA
Trifluoroacetic Acid SCHEMBL4082598 0.84 JAK1 (0.50) ROCK1CCNKCDK12AURKAAURKB
Trifluoroacetic Acid SCHEMBL4088813 0.84 CCNK (0.56) ROCK1CCNKCDK12AURKAAURKB
Trifluoroacetic Acid SCHEMBL4088103 0.83 JAK1 (0.47) ROCK1CCNKCDK12AURKAAURKB
Trifluoroacetic Acid SCHEMBL4092253 0.82 ALK (0.55) ROCK2ROCK1CCNKCDK12AURKA
Trifluoroacetic Acid SCHEMBL4095963 0.81 JAK1 (0.46) CCNKCDK12AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4088053 0.81 ALK (0.55) CCNKCDK12AURKAAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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 (2 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ROCK2 1189/4885ROCK1 1782/4885CCNK 374/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ROCK2 1189/4885ROCK1 1782/4885CCNK 374/4885

“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.