SCHEMBL2980841

SCHEMBL2980841

CC1(C)C(=O)NC(=O)N1CCNc1ncc(-c2ccccc2)c(-c2ccc(-c3ccccc3)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.40
CYP1A2 P05177 4/20 0.35
CYP2C9 P11712 4/20 0.35
CASP1 P29466 4/20 0.35
CASP7 P55210 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 3/20 0.35
GLA P06280 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ABL1 P00519 1/20 0.34
PTGS2 P35354 1/20 0.34
NTRK1 P04629 1/20 0.33
ADORA2A P29274 1/20 0.33
PIM1 P11309 1/20 0.32
MAPK7 Q13164 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32

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
SCHEMBL2976762 0.92 ADORA1 (0.41) ADORA1CYP1A2CYP2C9CASP1CASP7
SCHEMBL2975687 0.87 ADORA1 (0.38) ADORA1CYP1A2CYP2C9CASP1CASP7
SCHEMBL2981953 0.85 ADORA1 (0.41) ADORA1ABL1ADORA2AMAPK1CDK8
SCHEMBL5145833 0.84 ALDH1A1 (0.43) ADORA1CYP1A2CYP2C9CASP1CASP7
SCHEMBL2987755 0.84 ADORA1 (0.37) ADORA1ABL1MAPK1FGFR1
SCHEMBL2981681 0.84 ADORA1 (0.39) ADORA1ABL1FGFR1
SCHEMBL2987614 0.83 ADORA1 (0.36) ADORA1ABL1PTGS2FGFR1RAD52
SCHEMBL2976262 0.81 RAF1 (0.37) ADORA1CYP1A2CASP1CASP7ALDH1A1
SCHEMBL2978018 0.81 HSD17B1 (0.39) ADORA1ABL1CCNCCDK8FGFR1
SCHEMBL2988700 0.81 ADORA1 (0.47) ADORA1CYP1A2CYP2C9HSD17B10ADORA2A

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 ADORA1 1406/4885CYP1A2 4124/4885CYP2C9 4542/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ADORA1 1406/4885CYP1A2 4124/4885CYP2C9 4542/4885

“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.