Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18044744

Cn1cc(-c2ccc(NC(=O)c3cc(C(F)(F)F)cn(-c4ccccc4)c3=O)cc2)c2c(N)ncnc21.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 16/20 0.57
▸ MET P08581 14/20 0.57
▸ FLT3 P36888 1/20 0.48
▸ MERTK Q12866 3/20 0.46
▸ RET P07949 2/20 0.46
▸ NTRK1 P04629 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ YES1 P07947 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ EIF2AK2 P19525 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NEK4 P51957 1/20 0.43
▸ MAP3K9 P80192 1/20 0.43
▸ MAP3K10 Q02779 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43

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
SCHEMBL16709459 0.98 AXL (0.59) AXLMETFLT3MERTKRET
SCHEMBL20344602 0.92 AXL (0.57) AXLMETFLT3MERTKRET
Trifluoroacetic Acid SCHEMBL18045132 0.89 AXL (0.53) AXLMETFLT3MERTKEGFR
SCHEMBL18044588 0.87 AXL (0.59) AXLMETFLT3MERTKEGFR
SCHEMBL18044611 0.85 AXL (0.57) AXLMETFLT3MERTKEGFR
SCHEMBL16709405 0.84 AXL (0.57) AXLMETFLT3MERTK
SCHEMBL18044626 0.83 AXL (0.55) AXLMETFLT3MERTKIKBKE
SCHEMBL18045193 0.83 AXL (0.53) AXLMETFLT3MERTKRET
SCHEMBL20344713 0.82 AXL (0.56) AXLMETFLT3MERTKEGFR
SCHEMBL18044640 0.82 AXL (0.54) AXLMETFLT3MERTKEGFR

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
EP-3067356-B1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-07-04 — — EP disclosed
US-9586967-B2 Pyrrolo pyrimidine derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 — — US disclosed
US-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-09-15 — — US disclosed
EP-3067356-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2016-09-14 — — EP 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-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE AXL, FLT3, TYRO3 AXL 1/4885MET 398/4885FLT3 2/4885

“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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