SCHEMBL2988796

SCHEMBL2988796

CNC(=O)c1cccc(-c2cnc(NCCN3C(=O)NC(=O)C3(C)C)nc2-c2ccc(Cl)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.38
ADORA1 P30542 4/20 0.37
CDK8 P49336 1/20 0.36
PTK2 Q05397 2/20 0.35
TNIK Q9UKE5 1/20 0.35
SCN9A Q15858 3/20 0.34
FYN P06241 1/20 0.34
NAMPT P43490 2/20 0.33
OTUD7B Q6GQQ9 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
PLK1 P53350 1/20 0.33

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
SCHEMBL2985654 0.92 ADORA1 (0.37) ADORA1CDK8FYN
SCHEMBL2981681 0.88 ADORA1 (0.39) ADORA1
SCHEMBL2981953 0.88 ADORA1 (0.41) ADORA1CDK8FYN
SCHEMBL2988365 0.87 PIK3C3 (0.38) ADORA1PTK2TNIKFYN
SCHEMBL2975251 0.85 ADORA1 (0.35) ADORA1CDK8
SCHEMBL2980841 0.81 ADORA1 (0.40) ADORA1CDK8
SCHEMBL2973501 0.79 ADORA1 (0.39) ADORA1
SCHEMBL2986424 0.78
SCHEMBL2977647 0.78
SCHEMBL2985533 0.76 ADORA1 (0.36) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 TAF1 2149/4885ADORA1 1406/4885CDK8 56/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 TAF1 2149/4885ADORA1 1406/4885CDK8 56/4885

“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.