SCHEMBL4986049

SCHEMBL4986049

Nc1ncnc2c1CCN(C(=O)Cc1ccc(F)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KCNK3 O14649 1/20 0.44
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
EIF2AK3 Q9NZJ5 1/20 0.42
ENPP2 Q13822 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX7 Q99572 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MCHR1 Q99705 1/20 0.39
USP2 O75604 1/20 0.38
IDO1 P14902 1/20 0.38

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 0.88 NPC1 (0.46) KCNK3ME2ME1ME3MEN1
SCHEMBL4990962 0.85 SMN1; SMN2 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4982979 0.82 GRM5 (0.50) P2RX7L3MBTL1
SCHEMBL4983752 0.81 HTT (0.52) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL4984698 0.79 F12 (0.42) NPC1RAB9AP2RX7
SCHEMBL4983021 0.78 SIGMAR1 (0.50) POLBEIF2AK3MEN1KMT2AMAPT
SCHEMBL4984972 0.77 RAB9A (0.38) EIF2AK3MAPTALDH1A1NPC1RAB9A
SCHEMBL14272291 0.77 TSHR (0.54) POLBKCNK3ENPP2MEN1KMT2A
SCHEMBL4992228 0.77 NPC1 (0.49) POLBME2ME1ME3ENPP2
SCHEMBL4988556 0.77 LIMK1 (0.47) MEN1KMT2AALDH1A1

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 POLB 3676/4885KCNK3 403/4885ME2 1749/4885

“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.