SCHEMBL4994733

SCHEMBL4994733

CCOC(=O)N1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM5 P08912 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ CNR1 P21554 2/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ CDK14 O94921 6/20 0.49
▸ CCNY Q8ND76 6/20 0.49
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CCNT1 O60563 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8262703 0.92 CDK14 (0.52) CDK14CCNYMEN1KMT2AL3MBTL1
SCHEMBL14091483 0.92 CDK14 (0.47) USP2CHRM2CHRM5CHRM3ALDH1A1
SCHEMBL4997419 0.91 CDK14 (0.46) USP2CHRM2CHRM5CHRM3ALDH1A1
SCHEMBL4995000 0.91 CDK14 (0.46) USP2CHRM2CHRM5CHRM3ALDH1A1
SCHEMBL4991704 0.91 CDK14 (0.47) USP2CHRM2CHRM5CHRM3ALDH1A1
SCHEMBL8261798 0.90 CDK14 (0.49) USP2CHRM2CHRM5CHRM3CNR1
SCHEMBL4997213 0.90 CDK14 (0.47) ALDH1A1CNR1CNR2HTTCDK14
SCHEMBL5002711 0.90 CDK14 (0.47) CNR1CNR2CDK14CCNYCCNT1
SCHEMBL24758664 0.90 EPHX2 (0.54) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL8261814 0.89 CDK14 (0.46) USP2CHRM2CHRM5CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 — — US claimed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 — — US disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 — — US disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 — — US disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 — — 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-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's CDK1, CDK3, CDK2 USP2 3303/4885CHRM2 1744/4885CHRM5 3028/4885

“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.

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