SCHEMBL4872259

SCHEMBL4872259

CCC(C)c1c(O)nc2c(C#N)cnn2c1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.44
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM5A P29375 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A1 P68400 8/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
KDM4D Q6B0I6 1/20 0.35

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
SCHEMBL4875792 0.76 CDK2 (0.50) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4509989 0.73 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL18863632 0.73 CSNK2A1 (0.44) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5771022 0.73 MEN1 (0.33) ALDH1A1KMT2A
SCHEMBL4873071 0.70 CDK2 (0.47) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14280912 0.70 CDK2 (0.49) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4875190 0.68 CCNT1 (0.38) CDK2ALDH1A1
SCHEMBL14338820 0.68 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL28790818 0.66 KDM4E (0.63) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18343696 0.65 KDM4E (0.61) CDK2KDM4EALDH1A1HPGDHSD17B10

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-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 US disclosed
US-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 US disclosed
US-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 US disclosed
EP-1694682-A1 7-AMINO-5-HALOPYRAZOLOPYRIMIDINES WITH A FUNGICIDAL ACTION Bayer CropScience AG (DE) 2006-08-30 EP disclosed
WO-2005056557-A1 7-AMINO-5-HALOPYRAZOLOPYRIMIDINES WITH A FUNGICIDAL ACTION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-23 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-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action Q6ZSR9, CYP3A7, CYP4X1 CDK2 1782/4885KDM4E 1831/4885ALDH1A1 334/4885

“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.