SCHEMBL4984970

SCHEMBL4984970

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.38
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PARP10 Q53GL7 1/20 0.33
MAPK8 P45983 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
GRM5 P41594 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL4989356 0.85 NPC1 (0.42) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL4988945 0.83 KDM4E (0.40) RAB9APARP10KMT2AALDH1A1KDM4E
SCHEMBL4986045 0.79 POLB (0.42) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL4980948 0.79 MEN1 (0.49) RAB9ANPC1KMT2AMAPTGAA
SCHEMBL4985620 0.77 PTGS1 (0.43) CYP2C9PTGDR2GRM5SIGMAR1HPGD
SCHEMBL4988720 0.77 HSD17B10 (0.41) RAB9ANPC1KMT2AMAPTTDP1
SCHEMBL4988631 0.77 GRM5 (0.45) GPBAR1GRM5POLBPARP1
SCHEMBL4990959 0.77 SMN1; SMN2 (0.50) RAB9AKMT2AMAPTGAAALDH1A1
SCHEMBL4982578 0.76 HTT (0.50) ALDH1A1CYP2C9POLBHPGD
SCHEMBL4983019 0.76 SIGMAR1 (0.47) NPC1KMT2AMAPTGAAALDH1A1

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 DGAT1 3962/4885RAB9A 3422/4885NPC1 2233/4885

“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.