SCHEMBL4987996

SCHEMBL4987996

CC(C)(C(=O)Nc1ncnc2c1CCN(C(=O)c1cc(F)ccc1F)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.40
TSHR P16473 1/20 0.38
MAPK14 Q16539 1/20 0.36
MKNK1 Q9BUB5 4/20 0.36

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
SCHEMBL14272259 0.90 P2RX7 (0.40) P2RX7TSHR
SCHEMBL14272333 0.87 TSHR (0.53) P2RX7TSHRMAPK14
SCHEMBL4991392 0.86 EPHX2 (0.40) P2RX7TSHRMAPK14
SCHEMBL4990861 0.84 P2RX7 (0.41) P2RX7TSHRMAPK14
SCHEMBL4991892 0.83 P2RX7 (0.39) P2RX7TSHRMAPK14
SCHEMBL4989247 0.82 P2RX7 (0.54) P2RX7
SCHEMBL4991957 0.82 TSHR (0.38) TSHR
SCHEMBL13532525 0.82 P2RX7 (0.42) P2RX7TSHRMAPK14
SCHEMBL4988189 0.81 GRM5 (0.39) P2RX7TSHRMKNK1
SCHEMBL4988114 0.81 TSHR (0.38) P2RX7TSHR

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 1/4885TSHR 3850/4885MAPK14 655/4885

“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.