Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3120259

CCc1c(Nc2ccc(Oc3ccnc(C(F)(F)F)c3)cc2)nc(N)nc1-c1cccc(OC)c1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.40
▸ TTBK1 Q5TCY1 2/20 0.39
▸ TTBK2 Q6IQ55 2/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ MTNR1B P49286 3/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERBB4 Q15303 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36

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
SCHEMBL1642856 0.94 SYK (0.44) SYKTTBK1TTBK2ABCG2ADORA2A
SCHEMBL3241573 0.76 SYK (0.47) SYKTTBK1TTBK2
SCHEMBL4233678 0.70 ROCK1 (0.42) SYKTTBK1TTBK2
SCHEMBL12728016 0.70 KDM4E (0.49) SYKADORA2A
SCHEMBL3238384 0.70 ABL1 (0.41) SYKTTBK1TTBK2
Trifluoroacetic Acid SCHEMBL4223304 0.70 MGLL (0.38) SYK
SCHEMBL1642850 0.70 SYK (0.47) SYKABCG2ADORA2A
SCHEMBL3137696 0.69 KDM4E (0.56) SYK
SCHEMBL3118730 0.69 ABL1 (0.43) SYKTTBK1TTBK2CA9
Trifluoroacetic Acid SCHEMBL3146269 0.69 SCN9A (0.38) —

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
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 — — US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 — — US disclosed
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 — — US disclosed
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-15 — — 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 (2 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-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis CCNA2, MALT1, TPD52L2 SYK 1888/4885TTBK1 3602/4885TTBK2 3124/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 SYK 2948/4885TTBK1 2074/4885TTBK2 1761/4885

“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.

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