SCHEMBL16680947

SCHEMBL16680947

NC(=O)OC[CH]c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
HSD17B10 Q99714 2/20 0.43
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
GRIK1 P39086 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL15797909 0.83 ALDH5A1 (0.45) CYP2C9PTGS2KDM4ELMNAPKM
SCHEMBL3541538 0.81 CYP1A2 (0.47) CYP1A2CYP2C9ALDH1A1MAPTKDM4E
SCHEMBL16649643 0.81 ALDH1A1 (0.48) HSD17B10GRIK1ALDH1A1MAPTALOX15
SCHEMBL16649545 0.80 TRPA1 (0.39) ALDH1A1KDM4ETSHR
SCHEMBL12498864 0.77 KCNA3 (0.37) ALDH1A1
SCHEMBL2675925 0.75 HSD17B10 (0.48) CYP1A2HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL4985322 0.74 HSD17B10 (0.43) CYP1A2HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL16649688 0.71 CYP2C9 (0.51) CYP1A2HSD17B10CYP2C9CYP2C19NPC1
SCHEMBL113937 0.71 IDO1 (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL6496689 0.70 HSD17B10 (0.46) CYP1A2HSD17B10PTGS2ALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US claimed
US-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-03 US claimed
US-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
EP-2755958-B9 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
EP-2755958-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-09 EP disclosed
US-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-03 US disclosed
US-9662330-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2017-05-30 US disclosed
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-9321760-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-04-26 US disclosed
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2015-05-07 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 (4 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-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity CDK6, TK1, MAP3K19 CYP1A2 2852/4885HSD17B10 3971/4885GRIN2D 3219/4885
US-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 CYP1A2 2852/4885HSD17B10 3971/4885GRIN2D 3219/4885
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 CYP1A2 2852/4885HSD17B10 3971/4885GRIN2D 3219/4885
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 CYP1A2 2852/4885HSD17B10 3971/4885GRIN2D 3219/4885

“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.