SCHEMBL4986174

SCHEMBL4986174

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccc3ccccc3c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.46
MCOLN3 Q8TDD5 3/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.45
ATM Q13315 1/20 0.44
HSD11B1 P28845 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AKR1C3 P42330 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AKR1C1 Q04828 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4988448 0.88 MEN1 (0.45) PKMAKR1C3MEN1KMT2AAKR1C1
SCHEMBL4980960 0.86 SMN1; SMN2 (0.46) PKMTSHRLMNASMN1; SMN2AKR1C3
SCHEMBL4982603 0.86 SMN1; SMN2 (0.49) PKMSMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4988327 0.85 GBA1 (0.48) PKMLMNAMEN1KMT2AGAA
SCHEMBL4983020 0.85 MEN1 (0.47) PKMAKR1C3MEN1KMT2AGAA
SCHEMBL4993377 0.85 KMT2A (0.43) PKMLMNAATMSMN1; SMN2AKR1C3
SCHEMBL4988642 0.85 MAPT (0.43) LMNASMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4992075 0.85 CYP3A4 (0.53) PKMTSHRLMNAHSD11B1SMN1; SMN2
SCHEMBL4987011 0.84 PKM (0.46) PKMTSHRLMNAHSD11B1SMN1; SMN2
SCHEMBL4992564 0.84 MEN1 (0.47) PKMLMNAAKR1C3MEN1KMT2A

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 1098/4885MCOLN3 961/4885TSHR 3850/4885

“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.