SCHEMBL9262153

SCHEMBL9262153

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ncccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 1.00
CCND1 P24385 15/20 1.00
CCNE2 O96020 7/20 0.74
CCNE1 P24864 7/20 0.74
CDK2 P24941 7/20 0.74
CAMK2B Q13554 7/20 0.74
CAMK2G Q13555 7/20 0.74
CAMK2D Q13557 7/20 0.74
CAMK2A Q9UQM7 7/20 0.74
CCNB2 O95067 4/20 0.74
CDK1 P06493 4/20 0.74
CCNB1 P14635 4/20 0.74
CCNB3 Q8WWL7 4/20 0.74
CDK5 Q00535 3/20 0.74
CDK5R1 Q15078 3/20 0.74
PRKACA P17612 2/20 0.74
CCNA2 P20248 2/20 0.74
PRKACG P22612 2/20 0.74
PRKACB P22694 2/20 0.74
MEN1 O00255 1/20 0.74

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
SCHEMBL22566992 0.91 CDK4 (0.83) CDK4CCND1CCNE2CCNE1CDK2
Staurosporine Aglycon SCHEMBL30530825 0.86 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
Staurosporine Aglycon SCHEMBL8124103 0.86 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
Staurosporine Aglycon SCHEMBL29406635 0.86 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL9259173 0.85 CDK4 (0.74) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL13431713 0.84 CDK4 (0.80) CDK4CCND1CCNE2CCNE1CDK2
Granulatimide SCHEMBL4238896 0.78 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL22566991 0.77 CDK4 (0.65) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL14346099 0.77 PARP1 (0.66) CDK4CCND1CHEK1PARP1
SCHEMBL14708731 0.77 CDK4 (0.80) CDK4CCND1CCNE2CCNE1CDK2

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
WO-1995007910-A1 ANTIVIRAL INDOLE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-23 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 CDK4 893/4885CCND1 932/4885CCNE2 506/4885

“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.