Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL588602

Cc1n[nH]c2cc(-c3nc(N)nc(Nc4cccc(CS(C)(=O)=O)c4)n3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.43
GPR68 Q15743 1/20 0.40
CCNT1 O60563 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CDK9 P50750 3/20 0.39
PKMYT1 Q99640 1/20 0.39
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.37
FLT1 P17948 1/20 0.37
NEK2 P51955 1/20 0.37
SGK1 O00141 1/20 0.37
TPH1 P17752 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
Hydrochloric Acid SCHEMBL588938 0.92 NEK2 (0.41) KDRGPR68CCNT1CCNE1CDK2
SCHEMBL589262 0.78 NEK2 (0.46) KDRCCNT1CCNE1CDK2CDK9
Hydrochloric Acid SCHEMBL589256 0.77 NEK2 (0.46) KDRCCNT1CCNE1CDK2CDK9
SCHEMBL10151169 0.75 CCNT1 (0.49) KDRCCNT1CCNE1CDK2CDK9
SCHEMBL588761 0.71 PKMYT1 (0.59) KDRCDK2PKMYT1CSF1RRET
SCHEMBL31672487 0.69 KDR (0.46) KDRCCNT1CCNE1CDK2CDK9
SCHEMBL31672451 0.69 KDR (0.62) KDR
SCHEMBL10151178 0.69 KDR (0.62) KDR
SCHEMBL10151171 0.69 KDR (0.46) KDRCCNT1CCNE1CDK2CDK9
SCHEMBL31672441 0.69 KDR (0.46) KDRCCNT1CCNE1CDK2CDK9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 EP claimed
US-7858626-B2 Pyrimidineamines as angiogenesis modulators GLAXOSMITHKLINE LLC (US) 2010-12-28 US claimed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 US claimed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US claimed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 US claimed
EP-1343782-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP claimed
WO-2002059110-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2002-08-01 WO claimed
EP-3789027-A1 BOSUTINIB, SUNITINIB, TIVOZANIB, IMATINIB, NILOTINIB, REBASTINIB OR BAFETINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2021-03-10 EP disclosed
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 EP disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 US disclosed
US-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 US disclosed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US disclosed
US-7105530-B2 inhibitors of vascular endothelial growth factor receptor-2 kinase; pazopanib and salts; for proliferative retinopathy; anticancer SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 US disclosed
EP-1343782-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP disclosed
WO-2002059110-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2002-08-01 WO 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 (5 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-20040242578-A1 Pyrimidineamines as angiogenesis modulators TYMS, TYMP, DPYD KDR 5/4885GPR68 1131/4885CCNT1 548/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 KDR 1/4885GPR68 1293/4885CCNT1 236/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 KDR 648/4885GPR68 1328/4885CCNT1 1835/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 KDR 1/4885GPR68 1293/4885CCNT1 236/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885GPR68 1293/4885CCNT1 236/4885

“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.