SCHEMBL8514898

SCHEMBL8514898

CN(C)S(=O)(=O)Cc1cccc(Nc2cc(-c3cccc(OCc4ccccc4)c3)ncn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
CYP2C9 P11712 1/20 0.50
ADORA2A P29274 1/20 0.50
CCNT1 O60563 12/20 0.49
CDK9 P50750 12/20 0.49
MAP4K4 O95819 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
ABL2 P42684 1/20 0.49
GSK3A P49840 1/20 0.49

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
SCHEMBL4433041 0.91 CCNT1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4435856 0.88 CCNT1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4426431 0.85 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4438469 0.84 CCNT1 (0.65) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL8516321 0.84 CYP1A2 (0.70) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4437108 0.79 CCNT1 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL2996369 0.78 CDK9 (0.79) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL4430511 0.77 CCNT1 (0.66) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4436852 0.76 CCNT1 (0.66) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL8515410 0.76 CCNT1 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19CLK4

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 10 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
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 (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 CYP1A2 3578/4885CYP3A4 3448/4885CYP2D6 2612/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 CYP1A2 2965/4885CYP3A4 2929/4885CYP2D6 1894/4885

“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.