SCHEMBL13047669

SCHEMBL13047669

Cc1cccc(C(=O)Nc2cccc3c(=O)n(CC4CCN(C)CC4)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CCR8 P51685 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
CNR2 P34972 1/20 0.43
WDR5 P61964 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
GPR35 Q9HC97 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM3 P20309 2/20 0.40
P2RX7 Q99572 2/20 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
SCHEMBL13046744 0.89 PIK3CD (0.46) MEN1KMT2ACCR8POLBMAPT
SCHEMBL13047657 0.87 KMT2A (0.43) KMT2ACCR8POLBMAPTALDH1A1
SCHEMBL13047662 0.87 TP53 (0.43) CCR8POLBMAPTCHRM3P2RX7
SCHEMBL13047696 0.87 NPC1 (0.44) MAPTCNR2GPR35ALDH1A1
SCHEMBL13047739 0.86 ROCK2 (0.41) MEN1KMT2ACNR2TSHRHSD17B10
SCHEMBL13047719 0.85 P2RX7 (0.41) CCR8POLBMAPTALDH1A1TDP1
SCHEMBL13047668 0.85 MAPT (0.46) MEN1KMT2APOLBMAPTTSHR
SCHEMBL13047730 0.84 P2RX7 (0.42) POLBALDH1A1CHRM3P2RX7
SCHEMBL13047711 0.83 RAB9A (0.46) MEN1KMT2APOLBMAPTTSHR
SCHEMBL13047642 0.83 CCR8 (0.43) CCR8MAPTTSHRHSD17B10HTR1F

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 MEN1 4853/4885KMT2A 4614/4885CCR8 262/4885

“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.