SCHEMBL2984640

SCHEMBL2984640

O=C1NCCN1CCNc1nccc(-c2cnc(-c3cccnc3)s2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.43
RAF1 P04049 4/20 0.42
CDK2 P24941 1/20 0.40
CLK1 P49759 1/20 0.40
SCN9A Q15858 4/20 0.39
IRAK1 P51617 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
EGFR P00533 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
HDAC3 O15379 1/20 0.38
NCOR1 O75376 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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 0.92 BRAF (0.46) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2986664 0.91 BRAF (0.45) BRAFRAF1CDK2CLK1SCN9A
SCHEMBL2981699 0.87 BRAF (0.51) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL27688654 0.86 BRAF (0.43) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2971985 0.85 BRAF (0.46) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2986245 0.85 CDK2 (0.47) BRAFRAF1CDK2CLK1IRAK1
SCHEMBL2976253 0.83 BRAF (0.51) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2983611 0.80 BRAF (0.47) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL2988388 0.78 BRAF (0.49) BRAFRAF1CDK2CLK1SCN9A
SCHEMBL2986359 0.78 BRAF (0.47) 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 1089/4885CDK2 23/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885CDK2 23/4885

“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.