SCHEMBL12292

SCHEMBL12292

COC(=O)CCSc1cnc(NC(=O)OC(C)(C)C)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 15/20 0.59
CDK2 P24941 15/20 0.59
CCNE2 O96020 14/20 0.59
CDK1 P06493 8/20 0.59
CDK4 P11802 8/20 0.59
CCNB2 O95067 7/20 0.59
CCNB1 P14635 7/20 0.59
CCND1 P24385 7/20 0.59
CCNB3 Q8WWL7 7/20 0.59
CCND3 P30281 4/20 0.42
CCND2 P30279 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
CDK6 Q00534 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 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
SCHEMBL12466 0.89 CCNE2 (0.58) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL31206542 0.77 CDK2 (0.52) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL21963005 0.76 CCNE2 (0.44) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL14095608 0.76 ALDH1A1 (0.53) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL16724117 0.76 CCNE1 (0.44) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL21963023 0.75 CCNE2 (0.44) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL1261556 0.74 CDK2 (0.47) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL5216993 0.74 CCNE1 (1.00) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL16724105 0.74 SMN1; SMN2 (0.41) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL16086926 0.74 CDK2 (0.49) CCNE1CDK2CCNE2CDK1CDK4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9133218-B2 Pesticidally active pyridyl- and pyrimidyl-substituted thiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2015-09-15 US disclosed
US-9133218-B2 Pesticidally active pyridyl- and pyrimidyl-substituted thiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2015-09-15 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20150141423-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED THIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-05-21 US disclosed
US-20150141423-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED THIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-05-21 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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 (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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CCNE1 1483/4885CDK2 160/4885CCNE2 1986/4885
US-20150141423-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED THIAZOLE DERIVATIVES PLPBP, DDT, PIR CCNE1 2973/4885CDK2 401/4885CCNE2 3149/4885

“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.