SCHEMBL4984972

SCHEMBL4984972

Nc1ncnc2c1CCN(C(=O)Cc1ccccc1Br)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
DGAT1 O75907 3/20 0.38
P2RX7 Q99572 4/20 0.37
F12 P00748 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RBP4 P02753 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
AKT1 P31749 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
SCHEMBL4989360 0.84 NPC1 (0.46) RAB9ANPC1P2RX7KDM4EALDH1A1
SCHEMBL4988948 0.78 LIMK1 (0.43) KDM4EALDH1A1LMNA
SCHEMBL4986049 0.77 POLB (0.45) RAB9ANPC1P2RX7EIF2AK3ALDH1A1
SCHEMBL4992228 0.77 NPC1 (0.49) NPC1ALDH1A1TDP1
SCHEMBL4980953 0.77 MEN1 (0.53) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL4984698 0.77 F12 (0.42) RAB9ANPC1P2RX7F12
SCHEMBL14272352 0.77 TSHR (0.54) ALDH1A1
SCHEMBL13532557 0.76 P2RX7 (0.39) DGAT1P2RX7ALDH1A1
SCHEMBL4988726 0.75 P2RX3 (0.46) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL4982533 0.75 ALDH1A1 (0.44) P2RX7ALDH1A1CA12CA9

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

“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.