SCHEMBL2983786

SCHEMBL2983786

O=C1NCCN1CCNc1nccc(-c2ccc(-c3ccc4[nH]ccc4c3)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
BRAF P15056 5/20 0.44
MAPT P10636 1/20 0.42
RAF1 P04049 4/20 0.40
MTOR P42345 2/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
SCN9A Q15858 4/20 0.39
PRKDC P78527 1/20 0.37
SYK P43405 1/20 0.36
EGFR P00533 1/20 0.36
FLT1 P17948 1/20 0.36
VCP P55072 1/20 0.36
MAP3K11 Q16584 1/20 0.36

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
SCHEMBL2983611 0.83 BRAF (0.47) BRAFRAF1SCN9A
SCHEMBL2983500 0.82 BRAF (0.46) BRAFRAF1SCN9AEGFR
SCHEMBL2974896 0.81 SCN9A (0.49) JAK2BRAFRAF1SCN9APRKDC
SCHEMBL2988386 0.81 SCN9A (0.44) BRAFRAF1SCN9A
SCHEMBL2986664 0.81 BRAF (0.45) BRAFRAF1SCN9AEGFR
SCHEMBL2972099 0.80 BRAF (0.47) BRAFRAF1CCNT1CDK9SCN9A
SCHEMBL2988388 0.80 BRAF (0.49) BRAFRAF1CCNT1CDK9SCN9A
SCHEMBL2977811 0.80 BRAF (0.49) BRAFRAF1
SCHEMBL2986254 0.79 BRAF (0.43) BRAFRAF1SCN9A
SCHEMBL2973478 0.79 BRAF (0.52) BRAFMAPTRAF1SCN9A

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 JAK2 862/4885BRAF 841/4885MAPT 1412/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 JAK2 862/4885BRAF 841/4885MAPT 1412/4885

“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.