SCHEMBL3108186

SCHEMBL3108186

CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(N5CCCC5)cc4Cl)oc23)[C@@H]1CO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.77
CDK1 P06493 13/20 0.77
CDK2 P24941 12/20 0.77
CDK9 P50750 12/20 0.77
CCND1 P24385 12/20 0.77
CCNT1 O60563 10/20 0.77
CCNB1 P14635 10/20 0.77
CCNA2 P20248 7/20 0.77
CCNB2 O95067 6/20 0.77
CCNB3 Q8WWL7 6/20 0.77
CCNE1 P24864 5/20 0.77
CDK6 Q00534 5/20 0.77
CCND3 P30281 4/20 0.77
GSK3A P49840 4/20 0.77
CDK7 P50613 3/20 0.77
CCNH P51946 2/20 0.77
MNAT1 P51948 2/20 0.77
MAPK15 Q8TD08 2/20 0.77
CAMKK2 Q96RR4 2/20 0.77
CCNA1 P78396 2/20 0.77

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
SCHEMBL3108224 1.00 CDK4 (0.77) CDK4CDK1CDK2CDK9CCND1
SCHEMBL3108170 1.00 CDK4 (0.77) CDK4CDK1CDK2CDK9CCND1
Hydrochloric Acid SCHEMBL3109257 0.99 CDK4 (0.77) CDK4CDK1CDK2CDK9CCND1
Hydrochloric Acid SCHEMBL3109248 0.99 CDK4 (0.77) CDK4CDK1CDK2CDK9CCND1
Hydrochloric Acid SCHEMBL3109272 0.99 CDK4 (0.77) CDK4CDK1CDK2CDK9CCND1
SCHEMBL6519994 0.90 CDK4 (0.82) CDK4CDK1CDK2CDK9CCND1
SCHEMBL2440058 0.90 CDK4 (0.82) CDK4CDK1CDK2CDK9CCND1
SCHEMBL1180648 0.90 CDK4 (0.82) CDK4CDK1CDK2CDK9CCND1
SCHEMBL2440055 0.90 CDK4 (0.82) CDK4CDK1CDK2CDK9CCND1
SCHEMBL2440062 0.90 CDK4 (0.82) CDK4CDK1CDK2CDK9CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179210-A1 NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Piramal Enterprises Limited (IN) 2010-07-15 US claimed
EP-2046738-B1 ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION PIRAMAL ENTPR LTD (IN) 2014-06-11 EP disclosed
US-8563596-B2 Enantiomerically pure compounds for the treatment of proliferative disorders Piramal Enterprises Limited (IN) 2013-10-22 US disclosed
US-20100179210-A1 NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Piramal Enterprises Limited (IN) 2010-07-15 US disclosed
EP-2046738-A1 ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION Piramal Life Sciences Limited (IN) 2009-04-15 EP disclosed
WO-2007148158-A1 ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION PIRAMAL LIFE SCIENCES LIMITED (IN) 2007-12-27 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-20100179210-A1 NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CDK2, CDK9, CDK1 CDK4 5/4885CDK1 3/4885CDK2 1/4885

“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.