Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1244723

NCC(C(=O)Nc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1)c1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.33

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.33
MAPK1 P28482 4/20 0.33
MAPT P10636 3/20 0.33
ROCK1 Q13464 3/20 0.33
PPARG P37231 2/20 0.33
NCOA2 Q15596 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RPS6KB1 P23443 2/20 0.33
KDM4E B2RXH2 2/20 0.33
AKT1 P31749 2/20 0.33
HPGD P15428 2/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
TSHR P16473 2/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
DCLK1 O15075 1/20 0.33
MAPK13 O15264 1/20 0.33

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 SCHEMBL1244743 0.95 NPSR1 (0.36) ROCK2MAPK1MAPTROCK1PPARG
SCHEMBL1242174 0.95 ROCK2 (0.36) ROCK2MAPK1MAPTROCK1PPARG
SCHEMBL1244484 0.90 NPSR1 (0.39) ROCK2MAPK1MAPTROCK1PPARG
SCHEMBL1244580 0.87 TSHR (0.35) ROCK2MAPK1MAPTROCK1PPARG
Trifluoroacetic Acid SCHEMBL5632456 0.86 ABL1 (0.35) MAPK1MAPTRPS6KB1KDM4EHPGD
SCHEMBL1244725 0.83 CCNT1 (0.34) MAPK1MAPTRPS6KB1KDM4EHPGD
Trifluoroacetic Acid SCHEMBL5611114 0.82 KMO (0.35) MAPK1MAPTRPS6KB1KDM4ECCNT1
SCHEMBL1244419 0.82 MAPT (0.37) MAPK1MAPTPPARGNCOA2NPSR1
Trifluoroacetic Acid SCHEMBL1243690 0.80 CYP1A2 (0.41) MAPK1MAPTKDM4EHPGDCCNT1
Trifluoroacetic Acid SCHEMBL1243757 0.80 RET (0.39) MAPK1MAPTROCK1PPARGNCOA2

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-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

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 ROCK2 944/4885MAPK1 61/4885MAPT 3675/4885

“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.