SCHEMBL10146022

SCHEMBL10146022

Cc1n[nH]c(C)c1CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DYRK1A Q13627 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 6/20 0.40
HSD17B10 Q99714 6/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 3/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
AR P10275 1/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 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
SCHEMBL17541299 0.86 MAPK1 (0.48) MAPK1KDM4EDYRK1ASMN1; SMN2MEN1
SCHEMBL24765109 0.77 MAPK1 (0.59) MAPK1KDM4EDYRK1ASMN1; SMN2MEN1
SCHEMBL9027068 0.75
SCHEMBL17494083 0.73
SCHEMBL11317106 0.73
SCHEMBL1839822 0.73
Ammonia Solution, Strong SCHEMBL3584756 0.73 MAPK1 (0.50) MAPK1KDM4EDYRK1ASMN1; SMN2MEN1
SCHEMBL772909 0.73
SCHEMBL13202074 0.71 MAPK1 (0.59) MAPK1KDM4EDYRK1ASMN1; SMN2MEN1
SCHEMBL17493910 0.71 MAPK1 (0.59) MAPK1KDM4EDYRK1ASMN1; SMN2MEN1

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
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 MAPK1 2975/4885KDM4E 2001/4885DYRK1A 508/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 MAPK1 3218/4885KDM4E 2694/4885DYRK1A 426/4885

“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.