SCHEMBL4875190

SCHEMBL4875190

CCC(C)c1c(O)nc2ccnn2c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.38
CDK9 P50750 10/20 0.38
KCNN3 Q9UGI6 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TSHR P16473 1/20 0.32
CCNK O75909 1/20 0.32
CDK14 O94921 1/20 0.32
CYP1A2 P05177 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32

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
SCHEMBL16058760 0.84 CCNT1 (0.38) CCNT1CDK9KCNN3PDE10ACDK1
SCHEMBL14338820 0.73 ALDH1A1 (0.36) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL1487823 0.72 PDE10A (0.39) CCNT1CDK9KCNN3PRKAB2PRKAG1
SCHEMBL15690546 0.68 PDE10A (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4872259 0.68 CDK2 (0.44) ALDH1A1CDK2
SCHEMBL14545195 0.68 CCNT1 (0.52) CCNT1CDK9KCNN3PDE10ACCNK
SCHEMBL14013824 0.67 PRKAB2 (0.39) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL12953173 0.67 PDE10A (0.54) CCNT1CDK9KCNN3PDE10ACCNK
SCHEMBL4869992 0.66 KCNN3 (0.37) CCNT1CDK9KCNN3PDE10ACRHR1
SCHEMBL23869471 0.66 CCNT1 (0.39) CCNT1CDK9KCNN3PDE10A

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
EP-2001294-A2 METHOD FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2008-12-17 EP disclosed
US-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 US disclosed
WO-2007110354-A2 METHOD FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2007-10-04 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 CCNT1 1917/4885CDK9 2409/4885KCNN3 899/4885

“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.