SCHEMBL2980474

SCHEMBL2980474

CS(=O)(=O)Nc1cccc(-c2cnc(NCCN3CCNC3=O)nc2-c2cccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.43
BRAF P15056 3/20 0.43
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
PTK2 Q05397 8/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.42
FYN P06241 2/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA1 P30542 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2976996 0.87 IRAK1 (0.46) RAF1BRAFIRAK1IRAK4CYP1A2
SCHEMBL2984023 0.86 IRAK1 (0.49) RAF1BRAFIRAK1IRAK4CYP1A2
SCHEMBL2989949 0.86 ADORA1 (0.47) RAF1BRAFIRAK1IRAK4CYP1A2
SCHEMBL2971703 0.85 ADORA1 (0.49) RAF1BRAFIRAK1IRAK4CYP1A2
SCHEMBL2977639 0.83 IRAK1 (0.43) RAF1BRAFIRAK1IRAK4ADORA1
SCHEMBL2986078 0.83 ADORA1 (0.56) RAF1BRAFIRAK1IRAK4CYP1A2
SCHEMBL2987393 0.83 SCN9A (0.45) RAF1BRAFIRAK1IRAK4CYP1A2
SCHEMBL2973170 0.83 ADORA1 (0.54) RAF1BRAFIRAK1IRAK4CYP1A2
SCHEMBL2985008 0.83 KMT2A (0.44) RAF1BRAFIRAK1IRAK4PTK2
SCHEMBL2976780 0.83 IRAK1 (0.42) RAF1BRAFIRAK1IRAK4CYP1A2

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 RAF1 1089/4885BRAF 841/4885IRAK1 2101/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 RAF1 1089/4885BRAF 841/4885IRAK1 2101/4885

“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.