SCHEMBL18539735

SCHEMBL18539735

CC(F)(F)OC(F)(F)COCc1nc(-c2ccccc2)ncc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
TKT P29401 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
TACR1 P25103 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL18549308 0.85 ALDH1A1 (0.37) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18539741 0.83 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18539742 0.81 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18549710 0.80 MAPT (0.35) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18539737 0.79 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18539731 0.79 HTT (0.37) ALDH1A1TP53KMT2AMEN1LMNA
SCHEMBL18539740 0.79 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18660857 0.71 KMT2A (0.40) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18549679 0.68 MEN1 (0.49) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18660911 0.67 NPSR1 (0.35) MAPTALDH1A1SMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION ASAHI GLASS COMPANY, LIMITED (JP) 2017-02-23 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 (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-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION CYP2B6, PFAS, CYP2F1 MAPT 4497/4885ALDH1A1 1430/4885SMN1; SMN2 4379/4885

“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.