SCHEMBL2986254

SCHEMBL2986254

COc1ccc(-c2ccc(-c3ccnc(NCCN4CCNC4=O)n3)s2)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.43
MKNK1 Q9BUB5 2/20 0.39
SCN9A Q15858 6/20 0.39
HPGDS O60760 1/20 0.39
HDAC1 Q13547 1/20 0.39
RAF1 P04049 4/20 0.38
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
TOP1 P11387 1/20 0.38
PDE5A O76074 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 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
SCHEMBL2988386 0.89 SCN9A (0.44) BRAFMKNK1SCN9AHPGDSRAF1
SCHEMBL2977811 0.84 BRAF (0.49) BRAFMKNK1HPGDSRAF1IRAK1
SCHEMBL2983611 0.84 BRAF (0.47) BRAFMKNK1SCN9ARAF1IRAK1
SCHEMBL2986664 0.83 BRAF (0.45) BRAFMKNK1SCN9AHDAC1RAF1
SCHEMBL2972099 0.83 BRAF (0.47) BRAFMKNK1SCN9ARAF1IRAK1
SCHEMBL2988388 0.82 BRAF (0.49) BRAFMKNK1SCN9ARAF1IRAK1
SCHEMBL2974896 0.82 SCN9A (0.49) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL27708193 0.82 BRAF (0.44) BRAFSCN9AHPGDSRAF1IRAK1
SCHEMBL2983500 0.81 BRAF (0.46) BRAFMKNK1SCN9ARAF1IRAK1
SCHEMBL2973478 0.80 BRAF (0.52) BRAFMKNK1SCN9ARAF1IRAK1

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 841/4885MKNK1 243/4885SCN9A 4768/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885MKNK1 243/4885SCN9A 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.