SCHEMBL4986701

SCHEMBL4986701

COc1ccc(CN2CCc3c(N)ncnc3C2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ABCB1 P08183 5/20 0.44
ABCC1 P33527 2/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HTR4 Q13639 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL4983022 0.90 KDM4E (0.46) KDM4ETDP1ALDH1A1MAPTHTT
SCHEMBL4984991 0.85 KMT2A (0.43) KDM4ETDP1ALDH1A1MAPTHTT
SCHEMBL4987166 0.83 MAPK1 (0.57) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4985292 0.83 NPC1 (0.57) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4985337 0.82 DHFR (0.52) ABCB1ABCC1ABCG2
SCHEMBL4985030 0.81 SIGMAR1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4982522 0.80 DHFR (0.53) MAPTMEN1KMT2A
SCHEMBL4989472 0.80 LIMK1 (0.42) HTTMEN1KMT2A
SCHEMBL4986744 0.80 HSP90AB1 (0.50) KDM4EALDH1A1MAPT
SCHEMBL4986186 0.79 KMT2A (0.47) MEN1KMT2A

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 KDM4E 4128/4885TDP1 2440/4885ALDH1A1 3640/4885

“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.