Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2053153

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccncc2)CC1.O=C(O)C(F)(F)F.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 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.36
RAD52 P43351 1/20 0.35
UBE2N P61088 1/20 0.35
KIT P10721 1/20 0.34
RAB9A P51151 3/20 0.34
SLC40A1 Q9NP59 2/20 0.34
MTOR P42345 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
GPR6 P46095 3/20 0.34
NPC1 O15118 2/20 0.34
KAT2B Q92831 2/20 0.34
HSD11B1 P28845 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALOX12 P18054 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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 SCHEMBL2054376 0.96 PIK3CD (0.41) PIK3CDL3MBTL1RAD52UBE2NKIT
SCHEMBL2017857 0.95 PIK3CD (0.42) PIK3CDL3MBTL1KITRAB9ASLC40A1
Trifluoroacetic Acid SCHEMBL2163822 0.94 PIK3CD (0.43) PIK3CDL3MBTL1RAD52UBE2NKIT
Trifluoroacetic Acid SCHEMBL2054305 0.94 PIK3CD (0.40) PIK3CDL3MBTL1KITSMN1; SMN2ALOX12
SCHEMBL2017432 0.92 PIK3CD (0.42) PIK3CDL3MBTL1KITRAB9ASLC40A1
Trifluoroacetic Acid SCHEMBL2054020 0.92 PIK3CD (0.47) PIK3CDL3MBTL1SLC40A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2052614 0.91 PIK3CD (0.40) PIK3CDL3MBTL1RAB9AGPR6NPC1
Trifluoroacetic Acid SCHEMBL2054306 0.91 PIK3CD (0.39) PIK3CDL3MBTL1KITRAB9AGPR6
Trifluoroacetic Acid SCHEMBL2164857 0.90 PIK3CD (0.42) PIK3CDL3MBTL1RAB9AGPR6NPC1
Trifluoroacetic Acid SCHEMBL2036109 0.90 PIK3CD (0.42) PIK3CDL3MBTL1RAB9ANPC1MCL1

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 2960/4885RAD52 2110/4885

“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.