SCHEMBL4982834

SCHEMBL4982834

CC12CC3(C)CC(C)(C1)CC(C(C)(C)C(=O)Nc1ncnc4c1CCN(Cc1ccccc1)C4)(C2)C3

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRS3 P32247 5/20 0.42
MEN1 O00255 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MKNK1 Q9BUB5 5/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
F12 P00748 1/20 0.36

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
SCHEMBL4989569 0.92 ALDH1A1 (0.40) KMT2AKDM4ENPC1ALDH1A1GAA
SCHEMBL14296827 0.87 KMT2A (0.38) KMT2AKDM4ENPC1ALDH1A1GAA
SCHEMBL14272249 0.87 BRS3 (0.41) KMT2AKDM4ENPC1ALDH1A1GAA
SCHEMBL4985286 0.86 KMT2A (0.43) KMT2AKDM4ENPC1ALDH1A1GAA
SCHEMBL14296825 0.86 ALDH1A1 (0.37) KMT2AKDM4ENPC1ALDH1A1GAA
SCHEMBL4984735 0.84 BRS3 (0.40) KMT2AKDM4ENPC1ALDH1A1GAA
SCHEMBL13532746 0.79 MEN1 (0.42) KMT2AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL4991840 0.78 BRS3 (0.37) KMT2AKDM4ENPC1ALDH1A1GAA
SCHEMBL4986944 0.78 TSHR (0.42) KMT2AKDM4ENPC1ALDH1A1GAA
SCHEMBL4985252 0.77 KMT2A (0.39) KMT2AKDM4ENPC1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885KDM4E 4128/4885NPC1 2233/4885

“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.