SCHEMBL2984465

SCHEMBL2984465

Cc1cc(-c2nc(NCCN3C(=O)NC(=O)C3(C)C)ncc2-c2cccc(O)c2)sc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.39
RAF1 P04049 8/20 0.34
BRAF P15056 8/20 0.34
FGFR1 P11362 4/20 0.32
ERN1 O75460 1/20 0.32
ABL1 P00519 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
NTRK2 Q16620 1/20 0.32
HIPK1 Q86Z02 1/20 0.32
MAP3K20 Q9NYL2 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
HSD17B13 Q7Z5P4 1/20 0.31
KDR P35968 1/20 0.31
PLK1 P53350 1/20 0.31
EGFR P00533 3/20 0.31

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
SCHEMBL2973501 0.93 ADORA1 (0.39) ADORA1RAF1BRAFFGFR1ERN1
SCHEMBL2980178 0.91 HSD17B1 (0.40) ADORA1RAF1BRAFFGFR1ERN1
SCHEMBL2981681 0.89 ADORA1 (0.39) ADORA1RAF1BRAFFGFR1ERN1
SCHEMBL5149006 0.87 ADORA1 (0.39) ADORA1RAF1BRAFFGFR1ERN1
SCHEMBL2978018 0.87 HSD17B1 (0.39) ADORA1RAF1BRAFFGFR1ERN1
SCHEMBL2972000 0.85 RAF1 (0.35) ADORA1RAF1BRAFFGFR1ERN1
SCHEMBL2975277 0.83 KDR (0.38) ADORA1RAF1BRAFMAPK8KDR
SCHEMBL2977467 0.82 GRIN1 (0.32) GRIN1GRIN2B
SCHEMBL2987614 0.81 ADORA1 (0.36) ADORA1RAF1BRAFFGFR1ERN1
SCHEMBL2981953 0.80 ADORA1 (0.41) ADORA1FGFR1ABL1MAPK14EGFR

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 ADORA1 1406/4885RAF1 1089/4885BRAF 841/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ADORA1 1406/4885RAF1 1089/4885BRAF 841/4885

“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.