SCHEMBL4426442

SCHEMBL4426442

COc1cc(F)ccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 19/20 0.82
CCNT1 O60563 16/20 0.82
CDK2 P24941 7/20 0.82
CDK1 P06493 3/20 0.82
CCNB1 P14635 3/20 0.82
ABL2 P42684 3/20 0.82
GSK3A P49840 3/20 0.82
CCNA2 P20248 2/20 0.82
CCNA1 P78396 2/20 0.82
CDK5 Q00535 2/20 0.82
CDK5R1 Q15078 2/20 0.82
MAP4K4 O95819 2/20 0.82
CDK4 P11802 2/20 0.82
CCND1 P24385 2/20 0.82
CDK7 P50613 2/20 0.82
CCNH P51946 2/20 0.82
MNAT1 P51948 2/20 0.82
CCNE1 P24864 4/20 0.72
CCNE2 O96020 2/20 0.72
CCNK O75909 1/20 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 0.90 CDK9 (1.00) CDK9CCNT1CDK2CDK1CCNB1
SCHEMBL4430368 0.90 CDK9 (1.00) CDK9CCNT1CDK2CDK1CCNB1
SCHEMBL4427553 0.87 CDK9 (0.85) CDK9CCNT1CDK2CDK1CCNB1
SCHEMBL2030393 0.86 CDK9 (0.63) CDK9CCNT1CDK2CDK1CCNB1
SCHEMBL4435897 0.86 CCNT1 (0.69) CDK9CCNT1CDK2CDK1CCNB1
SCHEMBL12487288 0.85 CDK9 (0.67) CDK9CCNT1CDK2CDK1CCNB1
SCHEMBL2462111 0.84 CDK2 (1.00) CDK9CCNT1CDK2CDK1CCNB1
SCHEMBL4430596 0.83 CCNT1 (0.83) CDK9CCNT1CDK2CDK1CCNB1
SCHEMBL8515451 0.83 CCNT1 (0.82) CDK9CCNT1CDK2CDK1CCNB1
Hydrochloric Acid SCHEMBL2462522 0.83 CDK2 (0.98) CDK9CCNT1CDK2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2020235672-A1 PHARMACEUTICAL COMPOSITION FOR ALZHEIMER'S DISEASE 国立大学法人京都大学 (JP) 2020-11-26 WO disclosed
US-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP 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 (2 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 45/4885CDK2 1/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 CDK9 7/4885CCNT1 45/4885CDK2 2/4885

“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.