SCHEMBL4875792

SCHEMBL4875792

CCC(C)c1c(Cl)nc2c(C#N)cnn2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.50
KDM5A P29375 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A1 P68400 6/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
KDM4D Q6B0I6 1/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL16050622 0.86 CDK2 (0.51) CDK2KDM5AKDM4CKDM4EALDH1A1
SCHEMBL14280912 0.82 CDK2 (0.49) CDK2KDM5AKDM4CKDM4EALDH1A1
SCHEMBL4873071 0.80 CDK2 (0.47) CDK2KDM5AKDM4CKDM4EALDH1A1
SCHEMBL4866520 0.76 CSNK2B (0.33)
SCHEMBL4872259 0.76 CDK2 (0.44) CDK2KDM5AKDM4CKDM4EALDH1A1
SCHEMBL5438939 0.76 CDK2 (0.48) CDK2KDM5AKDM4CKDM4EALDH1A1
SCHEMBL6623749 0.74 KDM5A (0.45) CDK2KDM5AKDM4CKDM4EALDH1A1
SCHEMBL18863648 0.73 CDK2 (0.45) CDK2KDM5AKDM4CKDM4EALDH1A1
SCHEMBL6626868 0.72 KDM4E (0.49) CDK2KDM5AKDM4CKDM4EALDH1A1
SCHEMBL5771717 0.72 MEN1 (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP 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
US-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO 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 1782/4885KDM5A 951/4885KDM4C 1905/4885

“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.