SCHEMBL13046744

SCHEMBL13046744

Cc1cccc(C(=O)Nc2cccc3c(=O)n(CC4CCOCC4)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR2 P41597 1/20 0.45
GPR35 Q9HC97 1/20 0.43
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CCR8 P51685 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL13047669 0.89 MEN1 (0.46) LMNAALDH1A1MEN1KMT2AGPR35
SCHEMBL13046817 0.87 HTR2B (0.39) LMNAALDH1A1MEN1KMT2ACYP2C19
SCHEMBL13046619 0.87 HSD17B13 (0.42) LMNAALDH1A1CCR2POLBP2RX7
SCHEMBL13046798 0.87 RAB9A (0.46) LMNAALDH1A1MEN1KMT2ACCR2
SCHEMBL13046738 0.87 CNR2 (0.42) LMNAALDH1A1CCR8KDM4EMAPT
SCHEMBL13046736 0.87 KMT2A (0.43) ALDH1A1KMT2ACCR8KDM4EMAPT
SCHEMBL13046606 0.87 RAB9A (0.44) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL13046754 0.86 GPR35 (0.44) LMNAALDH1A1MEN1KMT2AGPR35
SCHEMBL13046830 0.86 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL13046797 0.85 CNR2 (0.41) LMNAALDH1A1KDM4EHPGDMAPT

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 PIK3CD 809/4885PIK3CA 584/4885PIK3CB 603/4885

“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.