SCHEMBL4988945

SCHEMBL4988945

NC(=O)c1n[c]c2c(n1)CN(Cc1ccccc1Br)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
GRM2 Q14416 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
FAAH O00519 2/20 0.38
CYP2A13 Q16696 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PHGDH O43175 1/20 0.34
PARP10 Q53GL7 1/20 0.34
CPB2 Q96IY4 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
SCHEMBL4982815 0.85 MEN1 (0.45) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL4984714 0.84 KMT2A (0.44) KDM4EALDH1A1PARP1PARP2MEN1
SCHEMBL4984970 0.83 DGAT1 (0.38) KDM4EALDH1A1LMNAPARP1MEN1
SCHEMBL4992456 0.83 MEN1 (0.40) KDM4EALDH1A1LMNAGRM2PARP1
SCHEMBL4988564 0.82 MEN1 (0.46) ALDH1A1GRM2MEN1KMT2ATSHR
SCHEMBL4988135 0.82 GRM2 (0.37) GRM2
SCHEMBL4986167 0.81 GRM2 (0.41) KDM4EALDH1A1LMNAGRM2PARP1
SCHEMBL4989323 0.81 CYP2D6 (0.46) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4992055 0.81 FAAH (0.42) KDM4EALDH1A1LMNAGRM2FAAH
SCHEMBL4986763 0.80 MEN1 (0.42) KDM4EALDH1A1LMNAMEN1KMT2A

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 KDM4E 4128/4885ALDH1A1 3640/4885LMNA 1911/4885

“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.