SCHEMBL2976262

SCHEMBL2976262

COc1cccc(-c2cnc(NCCN3C(=O)NC(=O)C3(C)C)nc2-c2ccc(S(=O)(=O)c3ccccc3)s2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.37
BRAF P15056 5/20 0.37
RAD52 P43351 1/20 0.35
ADORA1 P30542 4/20 0.35
ADORA2A P29274 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
MAPK14 Q16539 2/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2987614 0.90 ADORA1 (0.36) RAF1BRAFRAD52ADORA1MAPK14
SCHEMBL5147485 0.88 RAF1 (0.39) RAF1BRAFRAD52ADORA1ADORA2A
SCHEMBL2979550 0.84 RAF1 (0.37) RAF1BRAFADORA1MAPK14
SCHEMBL2985533 0.84 ADORA1 (0.36) RAF1BRAFADORA1MAPK14
SCHEMBL2975947 0.83 BRAF (0.36) RAF1BRAFADORA1MAPK14
SCHEMBL2989836 0.83 LOXL2 (0.30) LOXL2
SCHEMBL2985443 0.82 USP2 (0.36) ADORA2ATP53USP2ALDH1A1LMNA
SCHEMBL2980841 0.81 ADORA1 (0.40) RAD52ADORA1ADORA2ATP53USP2
SCHEMBL2988410 0.81
SCHEMBL2980290 0.78 AKT3 (0.34) RAF1BRAFLOXL2

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 841/4885RAD52 936/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 RAF1 1089/4885BRAF 841/4885RAD52 936/4885

“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.