SCHEMBL4989380

SCHEMBL4989380

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccc(F)cc1F)CC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MKNK1 Q9BUB5 10/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 2/20 0.36
PKLR P30613 1/20 0.36
GBA1 P04062 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
AKR1C3 P42330 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4986273 0.92 PKM (0.42) MAPTKMT2AL3MBTL1PKMAKR1C3
SCHEMBL4991400 0.90 EPHX2 (0.41) ALDH1A1AKR1C3CYP1A2CYP2C9CYP2C19
SCHEMBL4989307 0.90 ALDH1A1 (0.46) ALDH1A1MAPTMKNK1KMT2AL3MBTL1
SCHEMBL4988076 0.89 KMT2A (0.49) ALDH1A1KMT2AL3MBTL1PKM
SCHEMBL4988235 0.88 MAPT (0.38) ALDH1A1MAPTKMT2AAKR1C3CYP1A2
SCHEMBL4983020 0.85 MEN1 (0.47) ALDH1A1KMT2AL3MBTL1PKMAKR1C3
SCHEMBL4989326 0.85 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AL3MBTL1PKM
SCHEMBL4986102 0.83 PKM (0.44) KMT2AL3MBTL1PKMPKLRAKR1C3
SCHEMBL4985355 0.81 EPHX2 (0.37) ALDH1A1KMT2AL3MBTL1GBA1AKR1C3
SCHEMBL4986044 0.81 FAAH (0.39) GBA1

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 2 patents. 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 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 ALDH1A1 3640/4885MAPT 4477/4885MKNK1 1672/4885

“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.