SCHEMBL3116030

SCHEMBL3116030

COc1cc(O)c2c(=O)cc(-c3ccccc3Cl)oc2c1[C@@H]1CCN(C)[C@H]1CO

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 15/20 0.84
▸ CDK1 P06493 14/20 0.84
▸ CCND1 P24385 13/20 0.84
▸ CDK9 P50750 11/20 0.84
▸ CDK2 P24941 11/20 0.84
▸ CCNB1 P14635 11/20 0.84
▸ CCNT1 O60563 9/20 0.84
▸ CCNB2 O95067 7/20 0.84
▸ CCNB3 Q8WWL7 7/20 0.84
▸ CCNA2 P20248 6/20 0.84
▸ CDK6 Q00534 5/20 0.84
▸ CCNE1 P24864 5/20 0.84
▸ CCND3 P30281 4/20 0.84
▸ GSK3A P49840 4/20 0.84
▸ CDK7 P50613 3/20 0.84
▸ CCNH P51946 2/20 0.84
▸ MNAT1 P51948 2/20 0.84
▸ MAPK15 Q8TD08 2/20 0.84
▸ CAMKK2 Q96RR4 2/20 0.84
▸ CCNA1 P78396 2/20 0.84

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
SCHEMBL3116011 1.00 CDK4 (0.84) CDK4CDK1CCND1CDK9CDK2
SCHEMBL3116001 1.00 CDK4 (0.84) CDK4CDK1CCND1CDK9CDK2
Hydrochloric Acid SCHEMBL3116948 0.99 CDK4 (0.84) CDK4CDK1CCND1CDK9CDK2
Hydrochloric Acid SCHEMBL3116967 0.99 CDK4 (0.84) CDK4CDK1CCND1CDK9CDK2
Hydrochloric Acid SCHEMBL3116957 0.99 CDK4 (0.84) CDK4CDK1CCND1CDK9CDK2
SCHEMBL291051 0.93 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
SCHEMBL6524830 0.93 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
SCHEMBL291052 0.93 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
SCHEMBL291053 0.93 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
Hydrochloric Acid SCHEMBL3108717 0.92 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2

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 3/4885CCND1 21/4885

“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.

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