SCHEMBL949546

SCHEMBL949546

C1CN(CN2CCOCC2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CXCR4 P61073 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
GLA P06280 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
SCHEMBL9571712 0.89 USP2 (0.35) USP2KDM4EGAAMEN1KMT2A
SCHEMBL416345 0.87 SMN1; SMN2 (0.50) USP2KDM4EGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL27141329 0.85 GLA (0.48) USP2KDM4EGAAMEN1KMT2A
SCHEMBL536772 0.84 USP2 (0.50) USP2KDM4EGAAMEN1KMT2A
SCHEMBL3646422 0.84 POLB (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6674597 0.81 SMN1; SMN2 (0.56) KDM4EGAASMN1; SMN2KEAP1ALDH1A1
SCHEMBL151418 0.81 CXCR4 (0.57) KDM4EGAASMN1; SMN2KEAP1ALDH1A1
SCHEMBL23011510 0.81 CXCR4 (0.48) MEN1KMT2ASMN1; SMN2HSD17B10POLB
SCHEMBL13959346 0.81 CXCR4 (0.48) MEN1KMT2ASMN1; SMN2HSD17B10POLB
SCHEMBL7652435 0.78 KDM4E (0.69) USP2KDM4ESMN1; SMN2KEAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111163839-A Benzimidazolone-derived BCL6 inhibitors 癌症研究科技有限公司 2020-05-15 CN disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 USP2 4022/4885KDM4E 1813/4885GAA 4158/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 USP2 4022/4885KDM4E 1813/4885GAA 4158/4885

“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.