SCHEMBL3586746

SCHEMBL3586746

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
PDE1B Q01064 11/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
PDE1A P54750 4/20 0.40
PDE1C Q14123 4/20 0.40
DCTPP1 Q9H773 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3579583 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PDE1BALDH1A1MAPTHTT
SCHEMBL3576115 0.84 DCTPP1 (0.47) SMN1; SMN2ALDH1A1MAPTDCTPP1KDM4E
SCHEMBL13349054 0.79 DCTPP1 (0.39) SMN1; SMN2PDE1BMAPTPDE1APDE1C
SCHEMBL5317418 0.76 ALDH1A1 (0.40) SMN1; SMN2PDE1BALDH1A1MAPTHTT
SCHEMBL3587858 0.76 DCTPP1 (0.47) SMN1; SMN2ALDH1A1MAPTHTTDCTPP1
SCHEMBL3585667 0.75 MEN1 (0.48) SMN1; SMN2ALDH1A1MAPTKCNH2KDM4E
SCHEMBL5317422 0.75 NPC1 (0.46) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL1645579 0.73 SMN1; SMN2 (0.45) SMN1; SMN2PDE1BALDH1A1MAPTKCNJ1
SCHEMBL17458914 0.71 DCTPP1 (0.51) SMN1; SMN2ALDH1A1MAPTDCTPP1KCNJ1
SCHEMBL16963093 0.69 HSP90AA1 (0.48) SMN1; SMN2ALDH1A1MAPTDCTPP1KCNJ1

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-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
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO 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.