SCHEMBL4430368

SCHEMBL4430368

COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 18/20 1.00
CCNT1 O60563 17/20 1.00
MAP4K4 O95819 2/20 1.00
CDK1 P06493 2/20 1.00
CDK4 P11802 2/20 1.00
CCNB1 P14635 2/20 1.00
CCND1 P24385 2/20 1.00
ABL2 P42684 2/20 1.00
GSK3A P49840 2/20 1.00
CDK7 P50613 2/20 1.00
CCNH P51946 2/20 1.00
MNAT1 P51948 2/20 1.00
CDK2 P24941 2/20 1.00
CCNA2 P20248 1/20 1.00
CCNA1 P78396 1/20 1.00
CDK5 Q00535 1/20 1.00
CDK5R1 Q15078 1/20 1.00
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58

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
SCHEMBL29486339 1.00 CDK9 (1.00) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4427553 0.92 CDK9 (0.85) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4430596 0.91 CCNT1 (0.83) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL8514632 0.91 CDK9 (0.83) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4426442 0.90 CDK9 (0.82) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL8515451 0.90 CCNT1 (0.82) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL2997322 0.90 CDK9 (0.81) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4424917 0.89 CCNT1 (0.80) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4438737 0.89 CDK9 (0.80) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4426584 0.89 CCNT1 (0.80) CDK9CCNT1MAP4K4CDK1CDK4

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463342-B1 ESTROGEN RECEPTOR MODULATOR COMBINATIONS UNIV CALIFORNIA (US) 2023-09-06 EP claimed
EP-2748331-B1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-03-02 EP claimed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US claimed
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2014-10-09 US claimed
US-20140287454-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-09-25 US claimed
EP-2747755-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA Lead Discovery Center GmbH (DE) 2014-07-02 EP claimed
EP-2748331-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS Lead Discovery Center GmbH (DE) 2014-07-02 EP claimed
US-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US claimed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US claimed
WO-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO claimed
WO-2013026890-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO claimed
EP-2561867-A1 CDK9 inhibitors in the treatment of midline carcinoma Lead Discovery Center GmbH (DE) 2013-02-27 EP claimed
EP-2562265-A1 Susceptibility to selective CDK9 inhibitors Lead Discovery Center GmbH (DE) 2013-02-27 EP claimed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP claimed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US claimed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP claimed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO claimed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
WO-2008132138-A1 DERIVATIVES OF 4,6-DISUBSTITUTED AMINOPYRIMIDINES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-11-06 WO disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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 (5 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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 CDK9 8/4885CCNT1 45/4885MAP4K4 50/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 CDK9 7/4885CCNT1 45/4885MAP4K4 49/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 CDK9 2993/4885CCNT1 2655/4885MAP4K4 2915/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885CCNT1 41/4885MAP4K4 551/4885
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885CCNT1 41/4885MAP4K4 551/4885

“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.