Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1244552

Nc1cccc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
CCNT1 O60563 4/20 0.42
CDK9 P50750 4/20 0.42
PIP4K2C Q8TBX8 2/20 0.42
ABL1 P00519 6/20 0.40
BCR P11274 5/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
EGFR P00533 2/20 0.37
ERBB3 P21860 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDR P35968 1/20 0.37
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
PIKFYVE Q9Y2I7 1/20 0.37
MAPK10 P53779 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL1242168 0.94 PIP4K2C (0.45) PTGS1CCNT1CDK9PIP4K2CELANE
SCHEMBL1244474 0.94 CDK9 (0.46) PTGS1CCNT1CDK9PIP4K2CABL1
Trifluoroacetic Acid SCHEMBL1243561 0.90 LOXL2 (0.41) PIP4K2CABL1BCRKDM4EMAPT
Trifluoroacetic Acid SCHEMBL1243690 0.89 CYP1A2 (0.41) CCNT1CDK9ABL1BCRKDM4E
Trifluoroacetic Acid SCHEMBL4384220 0.89 PIP4K2C (0.39) PIP4K2CABL1BCRKDM4EMAPT
SCHEMBL1243847 0.88 PIP4K2C (0.49) CCNT1CDK9PIP4K2CELANEKDM4E
Trifluoroacetic Acid SCHEMBL1244577 0.88 ALDH1A1 (0.40) CCNT1CDK9PIP4K2CABL1BCR
SCHEMBL1243893 0.88 PIP4K2C (0.51) CCNT1CDK9PIP4K2CKDM4EMAPT
Trifluoroacetic Acid SCHEMBL1244312 0.88 PIP4K2C (0.45) PIP4K2CABL1BCRKDM4EMAPT
Trifluoroacetic Acid SCHEMBL1242107 0.88 PTGS1 (0.40) PTGS1CCNT1CDK9PIP4K2CABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 US disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 WO 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-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK PTGS1 2191/4885CCNT1 343/4885CDK9 39/4885

“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.