SCHEMBL2976253

SCHEMBL2976253

O=C1NCCN1CCNc1nccc(-c2cnc(-c3ccccc3Cl)s2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.51
RAF1 P04049 4/20 0.42
SCN9A Q15858 6/20 0.40
MAPK14 Q16539 3/20 0.39
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
FLT3 P36888 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL2983638 0.87 BRAF (0.46) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2971985 0.86 BRAF (0.46) BRAFRAF1SCN9AMAPK14IRAK1
SCHEMBL2981699 0.84 BRAF (0.51) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2986560 0.84 BRAF (0.50) BRAFRAF1IRAK1IRAK4CLK4
SCHEMBL2984640 0.83 BRAF (0.43) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL27688654 0.82 BRAF (0.43) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2973478 0.81 BRAF (0.52) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL1616092 0.78 MAPK14 (0.67) MAPK14LIMK1LIMK2
SCHEMBL2988388 0.78 BRAF (0.49) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2972101 0.78 IKBKB (0.50) BRAFRAF1SCN9AIRAK1IRAK4

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 9 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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN 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
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN 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 1089/4885SCN9A 4768/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885SCN9A 4768/4885

“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.