Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL517834

COc1cc(P2(=O)CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.63
EGFR P00533 12/20 0.57
IGF1R P08069 1/20 0.49
KCNH2 Q12809 1/20 0.49
CDK2 P24941 6/20 0.46
MAPK8 P45983 5/20 0.46
MAPK9 P45984 5/20 0.46
JUN P05412 4/20 0.46
MAPK10 P53779 3/20 0.46
CCNT1 O60563 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
CCNH P51946 2/20 0.44
MNAT1 P51948 1/20 0.44
CCNK O75909 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43

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
SCHEMBL517283 0.94 ALK (0.71) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL517487 0.94 ALK (0.71) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL517282 0.94 ALK (0.71) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL517284 0.86 ALK (0.71) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL518048 0.86 ALK (0.59) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL518049 0.86 ALK (0.59) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL518555 0.86 ALK (0.59) ALKEGFRIGF1RKCNH2CDK2
Formic Acid SCHEMBL517641 0.84 ALK (0.55) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL517664 0.79 ALK (0.72) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL518050 0.79 ALK (0.59) ALKEGFRIGF1RKCNH2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALK 1/4885EGFR 40/4885IGF1R 499/4885

“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.