SCHEMBL3579583

SCHEMBL3579583

COc1ccc(Cn2cc(N)c(-c3nn(CCN4CCOCC4)c(=O)n3Cc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
PDE1B Q01064 9/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
PDE1A P54750 2/20 0.42
PDE1C Q14123 2/20 0.42
MAPK1 P28482 1/20 0.40
PDE5A O76074 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL3586746 0.86 SMN1; SMN2 (0.43) SMN1; SMN2PDE1BALDH1A1MAPTHTT
SCHEMBL3587206 0.83 KDM4E (0.43) PDE1BALDH1A1MAPTPDE1APDE1C
SCHEMBL5317418 0.79 ALDH1A1 (0.40) SMN1; SMN2PDE1BALDH1A1MAPTHTT
SCHEMBL3585667 0.78 MEN1 (0.48) SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL5317422 0.78 NPC1 (0.46) SMN1; SMN2ALDH1A1MAPTMAPK1TSHR
SCHEMBL13349110 0.78 PDE1B (0.37) PDE1BALDH1A1MAPTPDE1APDE1C
SCHEMBL1644934 0.70 SMN1; SMN2 (0.49) SMN1; SMN2TSHRHIF1AEPAS1
SCHEMBL17459011 0.70 MEN1 (0.49) ALDH1A1MAPT
SCHEMBL3576115 0.68 DCTPP1 (0.47) SMN1; SMN2ALDH1A1MAPT
SCHEMBL5755331 0.67 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTHTTTSHR

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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 SMN1; SMN2 3277/4885PDE1B 3115/4885ALDH1A1 3914/4885

“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.