SCHEMBL7829623

SCHEMBL7829623

O=c1cc(-c2ccccc2Cl)oc2c(C3CCNCC3CO)c(O)cc(O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.64
CDK1 P06493 14/20 0.64
CCND1 P24385 12/20 0.64
CCNB1 P14635 11/20 0.64
CDK2 P24941 10/20 0.64
CDK9 P50750 8/20 0.64
CCNB2 O95067 8/20 0.64
CCNB3 Q8WWL7 8/20 0.64
CCNT1 O60563 7/20 0.64
CCNA2 P20248 5/20 0.64
CCNE1 P24864 5/20 0.64
GSK3A P49840 4/20 0.64
CDK6 Q00534 4/20 0.64
CDK7 P50613 3/20 0.64
CCND3 P30281 3/20 0.64
CCNH P51946 2/20 0.64
MNAT1 P51948 2/20 0.64
MAPK15 Q8TD08 2/20 0.64
CAMKK2 Q96RR4 2/20 0.64
CCNA1 P78396 2/20 0.64

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
SCHEMBL4585801 1.00 CDK4 (0.64) CDK4CDK1CCND1CCNB1CDK2
Hydrochloric Acid SCHEMBL15636652 0.99 CDK4 (0.65) CDK4CDK1CCND1CCNB1CDK2
Hydrochloric Acid SCHEMBL4447778 0.99 CDK4 (0.65) CDK4CDK1CCND1CCNB1CDK2
SCHEMBL5735816 0.89 CDK4 (0.53) CDK4CDK1CCND1CCNB1CDK2
SCHEMBL23683032 0.88 CDK4 (0.75) CDK4CDK1CCND1CCNB1CDK2
SCHEMBL20181812 0.88 CDK4 (0.75) CDK4CDK1CCND1CCNB1CDK2
SCHEMBL24669074 0.87 CDK4 (0.74) CDK4CDK1CCND1CCNB1CDK2
SCHEMBL22580714 0.85 CDK4 (0.67) CDK4CDK1CCND1CCNB1CDK2
SCHEMBL8821026 0.83 CDK4 (0.60) CDK4CDK1CCND1CCNB1CDK2
SCHEMBL16722415 0.82 CDK4 (0.64) CDK4CDK1CCND1CCNB1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3503923-A1 COMBINATION THERAPIES FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA Eisai R&D Management Co., Ltd. (JP) 2019-07-03 EP claimed
WO-2018039324-A1 COMBINATION THERAPIES FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-01 WO claimed
EP-2748331-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS Lead Discovery Center GmbH (DE) 2014-07-02 EP claimed
WO-2013026890-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO claimed
EP-3503923-A1 COMBINATION THERAPIES FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA Eisai R&D Management Co., Ltd. (JP) 2019-07-03 EP disclosed
WO-2018039324-A1 COMBINATION THERAPIES FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-01 WO disclosed
EP-2747755-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA Lead Discovery Center GmbH (DE) 2014-07-02 EP disclosed
EP-2748331-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS Lead Discovery Center GmbH (DE) 2014-07-02 EP disclosed
WO-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO disclosed
WO-2013026890-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO disclosed
US-20010011076-A1 COMBINATIONS OF PKC INHIBITORS AND THERAPEUTIC AGENTS FOR TREATING CANCERS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2001-08-02 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 (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-20010011076-A1 COMBINATIONS OF PKC INHIBITORS AND THERAPEUTIC AGENTS FOR TREATING CANCERS PRKCI, PRKCA, PRKCH CDK4 310/4885CDK1 314/4885CCND1 1594/4885

“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.