Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17601167

CC(C)n1cncc1-c1ccnc(Cl)n1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.43
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAP3K5 Q99683 1/20 0.39
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL17601485 0.88 IDH1 (0.48) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL5109260 0.72 MAPK14 (0.49) IDH1GSK3BDYRK1AALDH1A1CDK5
SCHEMBL17601377 0.70 IDO1 (0.44) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL17601291 0.69 IDH1 (0.48) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL4867623 0.68 ABL1 (0.56) IDH1KCNH2GSK3BDYRK1AAAK1
SCHEMBL3207123 0.64 CDK2 (0.60) KCNH2GSK3BAAK1CDK5CDK5R1
Trifluoroacetic Acid SCHEMBL30527647 0.64 HRH4 (0.39) GABRA1GABRG2GABRB3GABRA3CYP3A4
SCHEMBL30236902 0.63 ADORA2A (0.46) DYRK1AAAK1ALDH1A1TDP1MAPK14
Hydrochloric Acid SCHEMBL21724144 0.63 MAP3K5 (0.43) IDH1CYP3A4CYP2C9KCNH2MAP3K5
SCHEMBL29212013 0.63 ADORA2A (0.46) DYRK1AAAK1ALDH1A1TDP1MAPK14

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
EP-3194383-B1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 EP disclosed
US-20190263779-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2019-08-29 US disclosed
US-20190210995-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2019-07-11 US disclosed
US-10280150-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA TM2, INC. (US) 2019-05-07 US disclosed
US-20180134682-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2018-05-17 US disclosed
US-9815817-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
EP-3194383-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS Forma Therapeutics, Inc. (US) 2017-07-26 EP disclosed
WO-2016044781-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-03-24 WO disclosed
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 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 (6 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-10280150-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors IDH1, IDH3A, IDH3B IDH1 1/4885GABRA1 4202/4885GABRG2 3938/4885
US-20190210995-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH2, IDH3A IDH1 1/4885GABRA1 3606/4885GABRG2 2900/4885
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors IDH1, IDH3A, IDH3B IDH1 1/4885GABRA1 4202/4885GABRG2 3938/4885
US-20180134682-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B IDH1 1/4885GABRA1 4202/4885GABRG2 3938/4885
US-20190263779-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B IDH1 1/4885GABRA1 4202/4885GABRG2 3938/4885
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B IDH1 1/4885GABRA1 4202/4885GABRG2 3938/4885

“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.