SCHEMBL13047081

SCHEMBL13047081

Cc1cccc(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)C)ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.52
KCNQ2 O43526 1/20 0.48
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.41
GRM2 Q14416 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 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
SCHEMBL1590473 0.93 P2RX7 (0.52) P2RX7KCNQ2ALDH1A1PKMTP53
SCHEMBL13047120 0.93 P2RX7 (0.51) P2RX7KCNQ2ALDH1A1TP53POLB
SCHEMBL13047135 0.90 TP53 (0.46) P2RX7ALDH1A1TP53POLBKDM4E
SCHEMBL13047091 0.89 P2RX7 (0.52) P2RX7ALDH1A1TP53POLBKDM4E
SCHEMBL13047071 0.87 POLB (0.61) P2RX7KCNQ2ALDH1A1POLBKDM4E
SCHEMBL13046659 0.87 PARP14 (0.49) P2RX7ALDH1A1TP53POLBKDM4E
SCHEMBL13046657 0.85 P2RX7 (0.46) P2RX7ALDH1A1TP53POLBKDM4E
SCHEMBL1591798 0.85 P2RX7 (0.50) P2RX7KCNQ2ALDH1A1TP53POLB
SCHEMBL1590396 0.84 P2RX7 (0.49) P2RX7KCNQ2ALDH1A1PKMTP53
SCHEMBL13047129 0.84 P2RX7 (0.50) P2RX7ALDH1A1POLBCACNA1GCACNA1H

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 P2RX7 1/4885KCNQ2 519/4885ALDH1A1 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.