Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2013472

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCC(C#N)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
ALOX12 P18054 4/20 0.34
NCOA3 Q9Y6Q9 2/20 0.34
NCOA1 Q15788 1/20 0.34
BCL2 P10415 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCL1 Q07820 1/20 0.32
LRRK2 Q5S007 1/20 0.32
AXL P30530 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
Trifluoroacetic Acid SCHEMBL2016492 0.96 PIK3CD (0.40) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2012928 0.93 PIK3CD (0.44) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2054109 0.92 PIK3CD (0.43) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2038413 0.90 PIK3CD (0.41) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2054045 0.90 PIK3CD (0.41) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2164791 0.90 PIK3CD (0.41) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2163852 0.89 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2012685 0.89 PIK3CD (0.41) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2163932 0.89 PIK3CD (0.41) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2163475 0.89 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12

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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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 (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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 PIK3CD 13/4885L3MBTL1 2960/4885NPC1 3274/4885

“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.