SCHEMBL4987990

SCHEMBL4987990

Cc1cccc(CN2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 3/20 0.39
TSHR P16473 1/20 0.39
CLPP Q16740 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
SCHEMBL5011770 0.91 P2RX7 (0.42) P2RX7MKNK1MEN1KMT2ALMNA
SCHEMBL4989721 0.90 MKNK1 (0.40) P2RX7MKNK1MEN1KMT2AEPHX2
SCHEMBL4986137 0.90 TSHR (0.43) P2RX7LMNASMN1; SMN2TSHR
SCHEMBL4983637 0.90 P2RX7 (0.47) P2RX7MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4990757 0.90 P2RX7 (0.47) P2RX7MKNK1EPHX2TSHR
SCHEMBL14272511 0.89 TSHR (0.52) MKNK1LMNATSHRCLPP
SCHEMBL4986930 0.88 SIGMAR1 (0.41) P2RX7SMN1; SMN2EPHX2TSHR
SCHEMBL4982819 0.87 LMNA (0.43) P2RX7MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4983017 0.87 TSHR (0.41) P2RX7LMNASMN1; SMN2EPHX2TSHR
SCHEMBL4988908 0.87 TSHR (0.41) P2RX7LMNASMN1; SMN2EPHX2TSHR

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 4 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
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed

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 P2RX7 1/4885MKNK1 1672/4885MEN1 4853/4885

“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.