SCHEMBL4437883

SCHEMBL4437883

NS(=O)(=O)Cc1cccc(Nc2cc(-c3cccc(CN4CCOCC4)c3)ncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.53
CCNT1 O60563 2/20 0.53
CDK9 P50750 2/20 0.53
MAP4K4 O95819 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND1 P24385 1/20 0.53
CDK2 P24941 1/20 0.53
ABL2 P42684 1/20 0.53
GSK3A P49840 1/20 0.53
CDK7 P50613 1/20 0.53
CCNH P51946 1/20 0.53
MNAT1 P51948 1/20 0.53
CCNA1 P78396 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
TBK1 Q9UHD2 3/20 0.51
CSF1R P07333 2/20 0.51
TYK2 P29597 2/20 0.51

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
SCHEMBL2996894 0.93 ABL1 (0.47) CDK1CCNT1CDK9MAP4K4CDK4
SCHEMBL4438331 0.89 CCNT1 (0.55) CDK1CCNT1CDK9MAP4K4CDK4
SCHEMBL8516627 0.86 CYP1A2 (0.60) CDK1CCNT1CDK9MAP4K4CDK4
SCHEMBL2998016 0.83 CCNT1 (0.46) CDK1CCNT1CDK9MAP4K4CDK4
SCHEMBL17022947 0.83 CYP1A2 (0.60) CCNT1CDK9JAK3JAK2JAK1
SCHEMBL2988150 0.82 CYP1A2 (0.47) CDK1CCNT1CDK9MAP4K4CDK4
SCHEMBL8515516 0.81 CCNT1 (0.47) CDK1CCNT1CDK9MAP4K4CDK4
SCHEMBL8514905 0.81 CCNT1 (0.61) CDK1CCNT1CDK9MAP4K4CDK4
SCHEMBL8515410 0.81 CCNT1 (0.69) CDK1CCNT1CDK9MAP4K4CDK4
SCHEMBL8515470 0.81 CCNT1 (0.47) CDK1CCNT1CDK9MAP4K4CDK4

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
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
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
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

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-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 CDK1 3/4885CCNT1 45/4885CDK9 7/4885

“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.