SCHEMBL3108179

SCHEMBL3108179

CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(N5CCCC5)cc4Cl)oc23)C1(C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.51
CCNE1 P24864 5/20 0.51
CDK4 P11802 13/20 0.50
CDK1 P06493 12/20 0.50
CCND1 P24385 11/20 0.50
CCNB1 P14635 9/20 0.50
CDK9 P50750 7/20 0.50
CCNB2 O95067 7/20 0.50
CCNB3 Q8WWL7 7/20 0.50
CDK5 Q00535 7/20 0.50
CCNT1 O60563 6/20 0.50
CCNA2 P20248 4/20 0.50
GSK3A P49840 4/20 0.50
CDK6 Q00534 3/20 0.50
CDK8 P49336 3/20 0.50
CDK7 P50613 3/20 0.50
CCNH P51946 2/20 0.50
MNAT1 P51948 2/20 0.50
MAPK15 Q8TD08 2/20 0.50
CAMKK2 Q96RR4 2/20 0.50

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
Hydrochloric Acid SCHEMBL3119657 0.99 CDK4 (0.51) CDK2CCNE1CDK4CDK1CCND1
SCHEMBL666139 0.87 CDK4 (0.65) CDK2CCNE1CDK4CDK1CCND1
Hydrochloric Acid SCHEMBL665647 0.86 CDK4 (0.66) CDK2CCNE1CDK4CDK1CCND1
SCHEMBL3106222 0.86 CDK2 (0.49) CDK2CCNE1CDK4CDK1CCND1
SCHEMBL30688746 0.86 CDK4 (0.68) CDK2CCNE1CDK4CDK1CCND1
SCHEMBL2446327 0.86 CDK4 (0.68) CDK2CCNE1CDK4CDK1CCND1
Hydrochloric Acid SCHEMBL31632765 0.85 CDK4 (0.67) CDK2CCNE1CDK4CDK1CCND1
Hydrochloric Acid SCHEMBL30688749 0.85 CDK4 (0.67) CDK2CCNE1CDK4CDK1CCND1
Hydrochloric Acid SCHEMBL4015958 0.85 CDK4 (0.67) CDK2CCNE1CDK4CDK1CCND1
SCHEMBL3108186 0.81 CDK4 (0.77) CDK2CCNE1CDK4CDK1CCND1

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-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 CDK2 1/4885CCNE1 9/4885CDK4 5/4885

“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.