Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2053392

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2F)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 2/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPY2R P49146 1/20 0.37
GPR6 P46095 2/20 0.35
SOS1 Q07889 1/20 0.35
PIK3CG P48736 1/20 0.35
PAK1 Q13153 1/20 0.35
TNF P01375 1/20 0.35
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2017026 0.96 PIK3CD (0.44) PIK3CDLMNAMAPTALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2054376 0.92 PIK3CD (0.41) PIK3CDMAPTL3MBTL1NPY2RGPR6
Trifluoroacetic Acid SCHEMBL2052614 0.91 PIK3CD (0.40) PIK3CDLMNAMAPTALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL2163822 0.90 PIK3CD (0.43) PIK3CDALDH1A1L3MBTL1KDM4ENPY2R
Trifluoroacetic Acid SCHEMBL2053153 0.90 PIK3CD (0.41) PIK3CDSMN1; SMN2L3MBTL1GPR6NPC1
Trifluoroacetic Acid SCHEMBL2054020 0.89 PIK3CD (0.47) PIK3CDMAPTALDH1A1SMN1; SMN2L3MBTL1
Trifluoroacetic Acid SCHEMBL2164857 0.88 PIK3CD (0.42) PIK3CDMAPTL3MBTL1KDM4EGPR6
Trifluoroacetic Acid SCHEMBL2036109 0.88 PIK3CD (0.42) PIK3CDMAPTALDH1A1L3MBTL1KDM4E
Trifluoroacetic Acid SCHEMBL2054305 0.88 PIK3CD (0.40) PIK3CDLMNAMAPTALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2054306 0.87 PIK3CD (0.39) PIK3CDALDH1A1SMN1; SMN2L3MBTL1GPR6

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 13/4885LMNA 4440/4885MAPT 4496/4885

“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.