SCHEMBL2985285

SCHEMBL2985285

CC1CCN(S(=O)(=O)c2ccc(-c3ccnc(NCCN4CCNC4=O)n3)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.48
RAF1 P04049 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
IKBKB O14920 8/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK8 P45983 1/20 0.37
OGA O60502 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MAPT P10636 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
SCHEMBL2982070 0.90 BRAF (0.46) BRAFRAF1L3MBTL1IKBKBALDH1A1
SCHEMBL2983808 0.90 BRAF (0.47) BRAFRAF1L3MBTL1IKBKBALDH1A1
SCHEMBL2983705 0.90 BRAF (0.47) BRAFRAF1L3MBTL1IKBKBALDH1A1
SCHEMBL2988508 0.90 BRAF (0.44) BRAFRAF1IKBKBALDH1A1
SCHEMBL2975806 0.89 BRAF (0.47) BRAFRAF1L3MBTL1IKBKBALDH1A1
SCHEMBL2988603 0.89 BRAF (0.47) BRAFRAF1L3MBTL1IKBKBALDH1A1
SCHEMBL2978240 0.89 BRAF (0.46) BRAFRAF1IKBKBALDH1A1MAPK8
SCHEMBL2981877 0.87 BRAF (0.46) BRAFRAF1IKBKBALDH1A1MAPK8
SCHEMBL2986658 0.86 BRAF (0.45) BRAFRAF1IKBKBALDH1A1
SCHEMBL2983920 0.85 BRAF (0.45) BRAFRAF1IKBKBALDH1A1MAPK8

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 7 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
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 1089/4885L3MBTL1 1287/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885L3MBTL1 1287/4885

“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.