SCHEMBL13486172

SCHEMBL13486172

O=Cc1cn(C2Cc3ccccc3C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.48
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
CYP11B2 P19099 4/20 0.38
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
P2RX7 Q99572 1/20 0.33
GSK3B P49841 1/20 0.33
CTSD P07339 1/20 0.33
GRIN2B Q13224 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
NOTUM Q6P988 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL13486167 0.90 CYP11B2 (0.44) KDM4AKDM5AKDM4CKDM5BCYP11B2
SCHEMBL14701672 0.78 CDK5 (0.40) CDK5CDK5R1DRD2DRD4DRD3
SCHEMBL15236765 0.76 CPB2 (0.40) CDK5CDK5R1GSK3B
SCHEMBL3273845 0.76 CPB2 (0.40) CDK5CDK5R1GSK3B
SCHEMBL14631087 0.74 CPB2 (0.51) CDK5CDK5R1DRD2DRD4DRD3
SCHEMBL14631086 0.74 CPB2 (0.51) CDK5CDK5R1DRD2DRD4DRD3
SCHEMBL14631015 0.73 CPB2 (0.42) KDM5ACYP11B2CDK5CDK5R1KDM2B
SCHEMBL14631151 0.73 CPB2 (0.40) CDK5CDK5R1KDM2B
SCHEMBL14631017 0.73 CPB2 (0.42) KDM5ACYP11B2CDK5CDK5R1KDM2B
SCHEMBL12333257 0.73 CPB2 (0.43) KDM5ACDK5CDK5R1GSK3BKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041722-A1 ORGANIC COMPOUNDS HU QI-YING 2010-02-18 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-20100041722-A1 ORGANIC COMPOUNDS CYP11B1, CYP11B2, CYP21A2 KDM4A 2449/4885KDM5A 1613/4885KDM4C 2675/4885

“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.