SCHEMBL13047071

SCHEMBL13047071

COc1cccc(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)C)ccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
GRM2 Q14416 5/20 0.55
KCNQ2 O43526 1/20 0.51
GAA P10253 1/20 0.51
ROCK1 Q13464 1/20 0.50
P2RX7 Q99572 1/20 0.50
PARP14 Q460N5 1/20 0.49
KDM4E B2RXH2 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PTGER3 P43115 1/20 0.45

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
SCHEMBL1590642 0.93 POLB (0.60) POLBGRM2KCNQ2GAAROCK1
SCHEMBL13047106 0.93 POLB (0.51) POLBGRM2KCNQ2GAAROCK1
SCHEMBL13046655 0.90 GRM2 (0.55) POLBGRM2KDM4ECYP3A4CYP2C9
SCHEMBL13047083 0.90 GRM2 (0.53) POLBGRM2KCNQ2GAAP2RX7
SCHEMBL13047079 0.87 P2RX7 (0.51) POLBGAAP2RX7PARP14KDM4E
SCHEMBL1590676 0.87 P2RX7 (0.62) POLBGRM2KCNQ2GAAROCK1
SCHEMBL13047081 0.87 P2RX7 (0.52) POLBGRM2KCNQ2P2RX7KDM4E
SCHEMBL15290185 0.87 ALDH1A1 (0.50) GRM2KDM4EHPGDALDH1A1
SCHEMBL13047124 0.87 ALDH1A1 (0.50) GRM2KDM4EHPGDALDH1A1
SCHEMBL13047557 0.86 POLB (0.61) POLBGRM2KCNQ2GAAROCK1

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-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885GRM2 332/4885KCNQ2 519/4885

“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.