SCHEMBL4485487

SCHEMBL4485487

N#Cc1ncn2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.43
PIK3CG P48736 2/20 0.41
CYP11B1 P15538 1/20 0.37
ELANE P08246 7/20 0.34
KDM4D Q6B0I6 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
AXL P30530 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
SCHEMBL17318005 0.75 NUDT1 (0.46) CDK2PIK3CGCYP11B1ELANE
SCHEMBL23942101 0.74 PIK3CG (0.36) CDK2PIK3CGELANE
SCHEMBL5496407 0.69 NUDT1 (0.56) CDK2PIK3CGELANESMPD3AXL
SCHEMBL10677361 0.69 ELANE (0.35) CYP11B1ELANE
SCHEMBL5047316 0.66 GABRA1 (0.35)
SCHEMBL21937448 0.65 PIK3CG (0.45) PIK3CGSMPD3AXL
SCHEMBL23744915 0.65 PIK3CG (0.32) PIK3CGSMPD3AXL
SCHEMBL19677948 0.65 KDM4E (0.33) PIK3CGKDM4DSMPD3AXL
SCHEMBL13377380 0.64 KDM4E (0.33) PIK3CGSMPD3AXL
SCHEMBL22835753 0.64 KDM4E (0.40)

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-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US 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 (2 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CDK2 306/4885PIK3CG 3362/4885CYP11B1 107/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CDK2 306/4885PIK3CG 3362/4885CYP11B1 107/4885

“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.