SCHEMBL2981877

SCHEMBL2981877

C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(-c2ccnc(NCCN3CCNC3=O)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.46
RAF1 P04049 4/20 0.42
IKBKB O14920 4/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
F10 P00742 1/20 0.33
MAPK8 P45983 1/20 0.33
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
OPRM1 P35372 1/20 0.33
SCN9A Q15858 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
SCHEMBL2986658 0.90 BRAF (0.45) BRAFRAF1IKBKBADORA2AADORA1
SCHEMBL2985285 0.87 BRAF (0.48) BRAFRAF1IKBKBALDH1A1MAPK8
SCHEMBL2988508 0.86 BRAF (0.44) BRAFRAF1IKBKBALDH1A1TP53
SCHEMBL2983808 0.86 BRAF (0.47) BRAFRAF1IKBKBALDH1A1MKNK1
SCHEMBL2983705 0.86 BRAF (0.47) BRAFRAF1IKBKBALDH1A1MAPK8
SCHEMBL2988603 0.85 BRAF (0.47) BRAFRAF1IKBKBALDH1A1MKNK1
SCHEMBL2975806 0.85 BRAF (0.47) BRAFRAF1IKBKBALDH1A1MKNK1
SCHEMBL2982070 0.84 BRAF (0.46) BRAFRAF1IKBKBALDH1A1MKNK1
SCHEMBL2983920 0.84 BRAF (0.45) BRAFRAF1IKBKBALDH1A1MAPK8
SCHEMBL2988510 0.84 BRAF (0.44) BRAFRAF1ALDH1A1TP53SMN1; SMN2

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 BRAF 841/4885RAF1 1089/4885IKBKB 1952/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885IKBKB 1952/4885

“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.