Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20593344

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)N1CC=C(c2ncnc3c2CN(Cc2ccccc2)CC3)CC1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CFTR P13569 4/20 0.39
▸ CLPP Q16740 4/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LIMK1 P53667 2/20 0.38
▸ C5AR1 P21730 1/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KIT P10721 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
Trifluoroacetic Acid SCHEMBL20593214 0.86 CCNT1 (0.38) KMT2AMEN1ALDH1A1TP53CFTR
SCHEMBL21385394 0.84 GRM5 (0.47) KMT2AALDH1A1NAMPTMAPK1KDM4E
Trifluoroacetic Acid SCHEMBL20593231 0.84 CLPP (0.40) KMT2AMEN1ALDH1A1TP53CFTR
SCHEMBL21385436 0.77 C5AR1 (0.42) KMT2AMEN1CFTRCLPPSMN1; SMN2
SCHEMBL21385389 0.74 MEN1 (0.46) KMT2AMEN1CLPPRAB9ANPC1
SCHEMBL11947240 0.73 KMT2A (0.49) KMT2AMEN1ALDH1A1TP53CFTR
Trifluoroacetic Acid SCHEMBL20593376 0.72 PDK1 (0.34) P2RX7
SCHEMBL1911808 0.70 KMT2A (0.52) KMT2AMEN1ALDH1A1TP53CLPP
SCHEMBL30767848 0.68 KMT2A (0.53) KMT2AMEN1ALDH1A1CLPPKDM4E
SCHEMBL322777 0.68 KMT2A (0.53) KMT2AMEN1ALDH1A1CLPPKDM4E

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-3630116-B1 TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2024-05-01 — — EP disclosed
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-08-18 — — US disclosed
US-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-24 — — US disclosed
US-20180370990-A1 TETRAHYDROPYRIDO[4,3-d]PYRIMIDINE INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2018-12-27 — — 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 (3 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-20180370990-A1 TETRAHYDROPYRIDO[4,3-d]PYRIMIDINE INHIBITORS OF ATR KINASE ATR, DTYMK, CHEK1 KMT2A 1160/4885MEN1 3160/4885ALDH1A1 3090/4885
US-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 KMT2A 1160/4885MEN1 3160/4885ALDH1A1 3090/4885
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 KMT2A 1160/4885MEN1 3160/4885ALDH1A1 3090/4885

“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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