SCHEMBL13047739

SCHEMBL13047739

COc1ccc(C(=O)Nc2cccc3c(=O)n(CC4CCN(C)CC4)ccc23)cc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
BRAF P15056 3/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
ACKR3 P25106 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
LMNA P02545 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
SCHEMBL13046830 0.90 ALDH1A1 (0.44) CNR2KDM4EALDH1A1TSHRMEN1
SCHEMBL13047668 0.86 MAPT (0.46) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL13047669 0.86 MEN1 (0.46) CNR2ALDH1A1TSHRMEN1KMT2A
SCHEMBL13047622 0.85 GRM2 (0.42) KDM4EALDH1A1LMNA
SCHEMBL13047696 0.84 NPC1 (0.44) CNR2KDM4EALDH1A1HPGD
SCHEMBL13047261 0.84 RXFP1 (0.54) ROCK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL13047657 0.82 KMT2A (0.43) ALDH1A1KMT2AHPGD
SCHEMBL13047041 0.82 ALDH1A1 (0.51) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL13046906 0.81 ROCK2 (0.48) ROCK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL13047688 0.81 GAA (0.49) KDM4EALDH1A1TSHRHPGDHTT

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 ROCK2 3093/4885BRAF 2462/4885CNR2 42/4885

“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.