SCHEMBL4988098

SCHEMBL4988098

Nc1ncnc2c1CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.42
CHRM1 P11229 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
DGAT1 O75907 1/20 0.37
P2RX3 P56373 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
AKR1C3 P42330 1/20 0.36
SCN9A Q15858 2/20 0.35
ALPL P05186 1/20 0.35
BCHE P06276 1/20 0.35
FGFR4 P22455 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL4988434 0.84 KMT2A (0.54) LIPEKMT2ATRPC5
SCHEMBL4988082 0.82 KMT2A (0.55) KMT2AL3MBTL1JAK2JAK1
SCHEMBL4985230 0.82 MEN1 (0.43) LIPEKMT2AAKR1C3SCN9A
SCHEMBL4986052 0.80 CHRM4 (0.43) LIPEKMT2AL3MBTL1TRPC5
SCHEMBL4985357 0.80 CTSG (0.41) DGAT1KMT2AL3MBTL1
SCHEMBL4989348 0.79 AKR1C3 (0.42) KDM2BDGAT1KMT2AAKR1C3SCN9A
SCHEMBL5144598 0.79 KDM2B (0.42) LIPECHRM1KDM2BP2RX3KMT2A
SCHEMBL4992139 0.78 KDM4E (0.47) KDM2BKMT2AL3MBTL1JAK2JAK1
SCHEMBL4991988 0.78 ALOX5AP (0.43)
SCHEMBL4986276 0.77 POLB (0.47) KMT2AL3MBTL1

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 LIPE 4767/4885CHRM1 977/4885KDM2B 4316/4885

“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.