Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3150208

COc1cc(-c2cc(Nc3ccc(Oc4ccnc(C#N)c4)cc3)nc(N)n2)ccc1N.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.41
▸ P2RX3 P56373 5/20 0.40
▸ IKBKB O14920 4/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ AGPAT2 O15120 3/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ ROCK2 O75116 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL13413991 0.92 IKBKB (0.43) IKBKBTP53MAPTHPGDALOX15
SCHEMBL3140989 0.86 AGPAT2 (0.45) TP53MAPTHPGDALOX15TSHR
SCHEMBL3146198 0.86 KMT2A (0.41) KDRP2RX3TP53MAPTHPGD
SCHEMBL3142025 0.85 ADORA2A (0.41) KDRP2RX3TP53MAPTHPGD
SCHEMBL3141970 0.85 AGPAT2 (0.45) IKBKBTP53MAPTHPGDALOX15
SCHEMBL3232538 0.84 P2RX3 (0.39) KDRP2RX3TP53MAPTHPGD
SCHEMBL13413990 0.83 MAPT (0.41) IKBKBTP53MAPTHPGDALOX15
SCHEMBL3239827 0.83 KDM4E (0.43) IKBKBTP53MAPTHPGDALOX15
SCHEMBL13448683 0.83 ABL1 (0.39) KDRP2RX3TP53MAPTHPGD
SCHEMBL13414012 0.82 RAB9A (0.49) IKBKBTP53MAPTHPGDALOX15

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-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 — — 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

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-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS TYMP, DPYD, CCNA2 KDR 1618/4885P2RX3 1430/4885IKBKB 690/4885
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 KDR 3725/4885P2RX3 1510/4885IKBKB 279/4885

“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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