SCHEMBL31748263

SCHEMBL31748263

FC(F)Cn1cnc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
GGPS1 O95749 1/20 0.59
FDPS P14324 1/20 0.59
APAF1 O14727 1/20 0.58
CYP11B1 P15538 5/20 0.56
CYP11B2 P19099 5/20 0.56
TNF P01375 1/20 0.56
AGER Q15109 4/20 0.55
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL6791275 0.81 GGPS1 (0.64) TDP1GGPS1FDPSAPAF1CYP11B1
SCHEMBL1026002 0.81 APAF1 (0.67) TDP1GGPS1FDPSAPAF1CYP11B1
SCHEMBL19432570 0.80 APAF1 (0.65) TDP1GGPS1FDPSAPAF1CYP11B1
SCHEMBL6175278 0.79 APAF1 (0.68) TDP1GGPS1FDPSAPAF1CYP11B1
SCHEMBL14408911 0.79 APAF1 (0.63) TDP1GGPS1FDPSAPAF1CYP11B1
SCHEMBL30899626 0.79 GGPS1 (0.43) TDP1GGPS1FDPSAPAF1POLB
SCHEMBL6176569 0.79 APAF1 (0.68) TDP1GGPS1FDPSAPAF1CYP11B1
SCHEMBL30899625 0.79 PRPS1 (0.43) TDP1GGPS1FDPSAPAF1AGER
SCHEMBL6125455 0.79 TDP1 (0.70) TDP1GGPS1FDPSCYP11B1CYP11B2
SCHEMBL6794361 0.78 TDP1 (0.76) TDP1GGPS1FDPSCYP11B1CYP11B2

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-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-25 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-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA1 TDP1 1789/4885GGPS1 1579/4885FDPS 3024/4885

“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.