SCHEMBL2980490

SCHEMBL2980490

O=C1NCCN1CCNc1nccc(-c2ccc(S(=O)(=O)N3CCCc4cc(Br)ccc43)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.40
RAF1 P04049 4/20 0.37
HTR6 P50406 1/20 0.36
GHSR Q92847 6/20 0.34
CCKBR P32239 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CHEK1 O14757 1/20 0.32
FLT3 P36888 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL2988449 0.91 BRAF (0.40) BRAFRAF1GHSRCYP11B1CYP11B2
SCHEMBL2985600 0.90 MEN1 (0.42) BRAFRAF1GHSRCYP11B1CYP11B2
SCHEMBL2980604 0.89 BRAF (0.40) BRAFRAF1GHSRMEN1KMT2A
SCHEMBL2983705 0.81 BRAF (0.47) BRAFRAF1KMT2A
SCHEMBL2983808 0.81 BRAF (0.47) BRAFRAF1KMT2ASCN9A
SCHEMBL2981786 0.80 TSHR (0.37) MEN1KMT2ASCN9A
SCHEMBL2975806 0.80 BRAF (0.47) BRAFRAF1KMT2A
SCHEMBL2988603 0.80 BRAF (0.47) BRAFRAF1KMT2A
SCHEMBL5147344 0.79 BRAF (0.42) BRAFRAF1CCKBRSCN9A
SCHEMBL2982070 0.79 BRAF (0.46) BRAFRAF1KMT2A

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 5 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
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US 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 1089/4885HTR6 2650/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885HTR6 2650/4885

“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.