SCHEMBL17829552

SCHEMBL17829552

CNc1ncc(C(C)(C)C)o1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.33
CCNB2 O95067 3/20 0.31
CCNE2 O96020 3/20 0.31
CDK1 P06493 3/20 0.31
CDK4 P11802 3/20 0.31
CCNB1 P14635 3/20 0.31
CCND1 P24385 3/20 0.31
CCNE1 P24864 3/20 0.31
CCNB3 Q8WWL7 3/20 0.31
CCND2 P30279 2/20 0.31
CCND3 P30281 2/20 0.31
RPS6KA2 Q15349 1/20 0.30

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
SCHEMBL14012581 0.80 CDK2 (0.32) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL13268635 0.74 MEN1 (0.41) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL10247712 0.72 CDK2 (0.34) CDK2CCNE2CDK1CCNE1
SCHEMBL13884415 0.71
SCHEMBL17801609 0.71 CDK2 (0.34) CDK2
SCHEMBL2619433 0.69 PIK3CG (0.41) CDK2
SCHEMBL19825530 0.68 CDK2 (0.43) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL22858887 0.68 CCNB2 (0.31) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL12851783 0.67 CDK2 (0.36) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL12851685 0.67 MAPK1 (0.34) CDK2CCNB2CCNE2CDK1CDK4

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-10287279-B2 Inhibitors of human 12/15-lipoxygenase THE CHILDREN'S HOSPITAL CORPORATION (US) 2019-05-14 US disclosed
US-20160168137-A1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE THE GENERAL HOSPITAL CORPORATION (US) 2016-06-16 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 (4 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CDK2 580/4885CCNB2 902/4885CCNE2 996/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CDK2 580/4885CCNB2 902/4885CCNE2 996/4885
US-10287279-B2 Inhibitors of human 12/15-lipoxygenase ALOX15, ALOX12, ALOX15B CDK2 197/4885CCNB2 577/4885CCNE2 1059/4885
US-20160168137-A1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE ALOX15, ALOX12, ALOX15B CDK2 197/4885CCNB2 577/4885CCNE2 1059/4885

“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.