SCHEMBL4986102

SCHEMBL4986102

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1c(F)cccc1F)CC2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 15/20 0.44
PKLR P30613 9/20 0.44
AKR1C3 P42330 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4988076 0.88 KMT2A (0.49) PKMPOLBKMT2AL3MBTL1
SCHEMBL4983020 0.85 MEN1 (0.47) PKMAKR1C3POLBKMT2AL3MBTL1
SCHEMBL4986273 0.83 PKM (0.42) PKMAKR1C3POLBKMT2AL3MBTL1
SCHEMBL4989326 0.83 ALDH1A1 (0.38) PKMAKR1C3POLBKMT2AL3MBTL1
SCHEMBL4989307 0.82 ALDH1A1 (0.46) PKMAKR1C3POLBKMT2AL3MBTL1
SCHEMBL4992564 0.82 MEN1 (0.47) PKMAKR1C3KMT2AL3MBTL1
SCHEMBL4988327 0.80 GBA1 (0.48) PKMKMT2A
SCHEMBL4987925 0.80 HDAC6 (0.44) AKR1C3KMT2AL3MBTL1
SCHEMBL4988235 0.80 MAPT (0.38) AKR1C3POLBKMT2A
SCHEMBL4991400 0.80 EPHX2 (0.41) AKR1C3

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 PKM 1098/4885PKLR 1213/4885AKR1C3 1419/4885

“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.