Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL517520

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(F)cc1Nc1ncc(F)c(-c2c[nH]c3ccccc23)n1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.61
IGF1R P08069 4/20 0.53
ALK Q9UM73 4/20 0.53
INSR P06213 3/20 0.53
KCNH2 Q12809 1/20 0.51
TNK2 Q07912 1/20 0.47
MAPK7 Q13164 1/20 0.45
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL518039 0.94 EGFR (0.68) EGFRIGF1RALKINSRKCNH2
SCHEMBL517407 0.89 EGFR (0.66) EGFRIGF1RALKINSRKCNH2
SCHEMBL517404 0.88 EGFR (0.78) EGFRIGF1RALKINSR
SCHEMBL517477 0.84 EGFR (0.84) EGFRIGF1RALKINSRMAPK7
SCHEMBL517589 0.82 EGFR (0.69) EGFRIGF1RALKINSRKCNH2
SCHEMBL517948 0.81 EGFR (0.81) EGFRIGF1RALKINSR
Trifluoroacetic Acid SCHEMBL517839 0.81 ALK (0.73) EGFRIGF1RALKMAPK7LRRK2
SCHEMBL517968 0.80 EGFR (0.79) EGFRIGF1RALKINSR
SCHEMBL517889 0.78 EGFR (0.81) EGFRIGF1RALKINSRMAPK7
SCHEMBL517495 0.77 EGFR (0.85) EGFRIGF1RALKINSRMAPK7

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 EGFR 40/4885IGF1R 499/4885ALK 1/4885

“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.