Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8510574

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3c(O)cccc3n5-c3ccccn3)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 18/20 0.55
PLK1 P53350 12/20 0.55
LCK P06239 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
LYN P07948 1/20 0.45
KIT P10721 1/20 0.45
BRAF P15056 1/20 0.45
TYK2 P29597 1/20 0.45
ZAP70 P43403 1/20 0.45
SYK P43405 1/20 0.45
JAK3 P52333 1/20 0.45
MAPK10 P53779 1/20 0.45
TEK Q02763 1/20 0.45
BTK Q06187 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
SCHEMBL9609443 0.94 WEE1 (0.58) WEE1PLK1LCKSRCKDR
Trifluoroacetic Acid SCHEMBL8509717 0.89 WEE1 (0.53) WEE1PLK1LCKSRCKDR
Trifluoroacetic Acid SCHEMBL8510226 0.89 WEE1 (0.53) WEE1PLK1LCKSRCKDR
SCHEMBL219529 0.88 WEE1 (0.56) WEE1PLK1LCKSRCKDR
SCHEMBL8510577 0.88 WEE1 (0.54) WEE1PLK1LCKSRCKDR
SCHEMBL8514170 0.86 WEE1 (0.56) WEE1PLK1LCKSRCKDR
SCHEMBL216546 0.85 WEE1 (0.55) WEE1PLK1LCKSRCKDR
SCHEMBL9609448 0.85 WEE1 (0.53) WEE1PLK1LCKSRCKDR
SCHEMBL217029 0.85 WEE1 (0.58) WEE1PLK1LCKSRCKDR
Hydrochloric Acid SCHEMBL8511263 0.85 WEE1 (0.53) WEE1PLK1LCKSRCKDR

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-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK WEE1 1/4885PLK1 636/4885LCK 540/4885

“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.