SCHEMBL16179628

SCHEMBL16179628

CN1CCC(c2c(O)cc(O)c3c(=O)cc(C=Cc4c(Cl)cccc4Cl)oc23)C(O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 1.00
CCNT1 O60563 15/20 1.00
CDK9 P50750 15/20 1.00
CCNA2 P20248 14/20 1.00
CDK1 P06493 6/20 1.00
CDK4 P11802 6/20 1.00
CCND1 P24385 5/20 1.00
CDK7 P50613 4/20 1.00
CCNK O75909 3/20 1.00
CCNH P51946 3/20 1.00
CCNE1 P24864 3/20 1.00
CDK5 Q00535 3/20 1.00
CCND3 P30281 2/20 1.00
CDK6 Q00534 2/20 1.00
CDK5R1 Q15078 2/20 1.00
CCNO P22674 1/20 1.00
CCNB2 O95067 3/20 0.68
CCNB1 P14635 3/20 0.68
GSK3A P49840 3/20 0.68
GSK3B P49841 3/20 0.68

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
SCHEMBL21622452 1.00 CDK2 (1.00) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL16189638 1.00 CDK2 (1.00) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL31028540 1.00 CDK2 (1.00) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL21618367 1.00 CDK2 (1.00) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL21622451 1.00 CDK2 (1.00) CDK2CCNT1CDK9CCNA2CDK1
Hydrochloric Acid SCHEMBL16180173 0.99 CDK2 (0.98) CDK2CCNT1CDK9CCNA2CDK1
Hydrochloric Acid SCHEMBL16180132 0.99 CDK2 (0.98) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL19595599 0.96 CDK2 (0.92) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL16189635 0.89 CDK9 (1.00) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL16180018 0.89 CDK9 (1.00) CDK2CCNT1CDK9CCNA2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820451-B1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND WITH IMPROVED SOLUBILITY AND EFFICACY COUNCIL SCIENT IND RES (IN) 2024-07-24 EP claimed
US-12036214-B2 Solid dispersion comprising an anticancer compound for improved solubility and efficacy COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH [IN/IN] (IN) 2024-07-16 US claimed
US-20210308116-A1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND FOR IMPROVED SOLUBILITY AND EFFICACY COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH [IN/IN] (IN) 2021-10-07 US claimed
EP-3820451-A1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND WITH IMPROVED SOLUBILITY AND EFFICACY Council Of Scientific & Industrial Research (IN) 2021-05-19 EP claimed
WO-2020012498-A1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND WITH IMPROVED SOLUBILITY AND EFFICACY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-01-16 WO claimed
EP-3820451-B1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND WITH IMPROVED SOLUBILITY AND EFFICACY COUNCIL SCIENT IND RES (IN) 2024-07-24 EP disclosed
US-12036214-B2 Solid dispersion comprising an anticancer compound for improved solubility and efficacy COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH [IN/IN] (IN) 2024-07-16 US disclosed
US-20210308116-A1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND FOR IMPROVED SOLUBILITY AND EFFICACY COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH [IN/IN] (IN) 2021-10-07 US disclosed
EP-3820451-A1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND WITH IMPROVED SOLUBILITY AND EFFICACY Council Of Scientific & Industrial Research (IN) 2021-05-19 EP disclosed
WO-2020012498-A1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND WITH IMPROVED SOLUBILITY AND EFFICACY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-01-16 WO disclosed
US-9932327-B2 Rohitukine analogs as cyclin-dependent kinase inhibitors and a process for the preparation thereof THE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-03 US disclosed
EP-2986605-B1 ROHITUKINE ANALOGS AS CYCLIN-DEPENDENT KINASE INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2017-11-15 EP disclosed
US-20160052915-A1 ROHITUKINE ANALOGS AS CYCLIN-DEPENDENT KINASE INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF THE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-02-25 US disclosed
EP-2986605-A1 ROHITUKINE ANALOGS AS CYCLIN-DEPENDENT KINASE INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2016-02-24 EP disclosed
WO-2014170914-A1 ROHITUKINE ANALOGS AS CYCLIN-DEPENDENT KINASE INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-10-23 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 (3 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-20210308116-A1 SOLID DISPERSION COMPRISING AN ANTICANCER COMPOUND FOR IMPROVED SOLUBILITY AND EFFICACY ABCG2, CCND1, TP53 CDK2 65/4885CCNT1 20/4885CDK9 54/4885
US-20160052915-A1 ROHITUKINE ANALOGS AS CYCLIN-DEPENDENT KINASE INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF CCNK, CDK1, CDK2 CDK2 3/4885CCNT1 47/4885CDK9 21/4885
US-12036214-B2 Solid dispersion comprising an anticancer compound for improved solubility and efficacy ABCG2, CCND1, TP53 CDK2 65/4885CCNT1 20/4885CDK9 54/4885

“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.