SCHEMBL4986032

SCHEMBL4986032

NC(=O)c1n[c]c2c(n1)CN(C(=O)c1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
PKM P14618 1/20 0.43
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
TACR3 P29371 1/20 0.38
TMPRSS2 O15393 1/20 0.37
PGR P06401 3/20 0.37
P2RX7 Q99572 1/20 0.37
HSD11B1 P28845 1/20 0.37
MTHFD2 P13995 1/20 0.37
PDE2A O00408 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 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
SCHEMBL4988052 0.88 HSP90AB1 (0.42) HPGDKMT2A
SCHEMBL4984763 0.86 PROKR1 (0.39) HPGDTACR3P2RX7
SCHEMBL4992284 0.86 GRM5 (0.48) PKM
SCHEMBL4988856 0.86 GRM5 (0.39) PDE2A
SCHEMBL4984810 0.85 KMT2A (0.43) TACR3PGRHSD11B1PDE2AKMT2A
SCHEMBL4988575 0.85 NPC1 (0.46) HPGDTMPRSS2TSHRKMT2A
SCHEMBL4985116 0.84 HPGD (0.52) HPGDMTHFD2
SCHEMBL4990813 0.84 PKM (0.42) HPGDPKMUBE2MDCUN1D1TACR3
SCHEMBL4982974 0.84 GRM5 (0.45)
SCHEMBL4989388 0.83 MAPK1 (0.55) HPGDKMT2A

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 HPGD 368/4885PKM 1098/4885UBE2M 4544/4885

“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.