SCHEMBL7208562

SCHEMBL7208562

NS(=O)(=O)c1ccc(Nc2cc(-c3csc4c(-c5cccc(O)c5)cccc34)[nH]n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.72
CDK1 P06493 8/20 0.72
CHEK1 O14757 1/20 0.42
TNIK Q9UKE5 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
VCP P55072 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7639290 0.92 CDK2 (0.62) CDK2CDK1CHEK1TNIKMEN1
SCHEMBL7203529 0.87 CDK2 (0.73) CDK2CDK1
SCHEMBL7203526 0.84 CDK2 (0.64) CDK2CDK1TNIKMEN1MAPT
SCHEMBL7545155 0.84 CDK2 (0.60) CDK2CDK1
SCHEMBL7536409 0.80 CDK2 (0.60) CDK2CDK1CHEK1TNIKKDM4E
SCHEMBL7210391 0.70 CDK2 (0.62) CDK2CDK1MEN1MAPTKMT2A
SCHEMBL7204485 0.70 TNIK (0.60) CDK2CDK1TNIK
Gw831090X SCHEMBL4465882 0.68 CDK2 (0.65) CDK2CDK1KDM4EMEN1POLB
SCHEMBL9820222 0.64 TNIK (0.85) CDK2CDK1CHEK1TNIKKDM4E
SCHEMBL7204720 0.63 CDK2 (0.47) CDK2CDK1MEN1KMT2A

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-1274706-A1 PYRAZOLES FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
US-6462069-B2 KINASE INHIBITORS; ANTICANCER AGENTS AGOURON PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001079198-A9 PYRAZOLES FOR INHIBITING PROTEIN KINASE AGOURON PHARMA (US) 2002-05-16 WO disclosed
US-20020006952-A1 Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases LIGHPOINTE COMMUNICATION, INC. 2002-01-17 US disclosed
WO-2001079198-A1 PYRAZOLES FOR INHIBITING PROTEIN KINASE AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 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-20020006952-A1 Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases CDK3, CCNK, CDK1 CDK2 4/4885CDK1 3/4885CHEK1 133/4885

“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.