SCHEMBL13301205

SCHEMBL13301205

O=[N+]([O-])c1ccc(Nc2nc(NC3CC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BLM P54132 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
ATM Q13315 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL13301204 0.82 SYK (0.50) GSK3AGSK3BCDK5SYKADORA3
SCHEMBL13301199 0.81 IRAK4 (0.51) GSK3AGSK3BCDK5SYKADORA3
SCHEMBL7106970 0.79 SYK (0.50) MEN1KMT2ASYKADORA3ADORA2A
SCHEMBL7104515 0.78 ADORA3 (0.64) MEN1KMT2ABLMGSK3AGSK3B
SCHEMBL31061104 0.77 ADORA3 (0.69) MEN1KMT2ABLMGSK3AGSK3B
SCHEMBL21601504 0.77 ADORA3 (0.69) MEN1KMT2ABLMGSK3AGSK3B
SCHEMBL21601510 0.77 ADORA3 (0.69) MEN1KMT2ABLMGSK3AGSK3B
SCHEMBL21601563 0.77 ADORA3 (0.69) MEN1KMT2ABLMGSK3AGSK3B
SCHEMBL4917250 0.76 ADORA3 (0.49) MEN1KMT2ASYKADORA3ADORA2A
SCHEMBL13301201 0.76 FLT3 (0.53) SYKADORA3ADORA2AADORA1PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580763-B2 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof ZHANGGUI WU (CN) 2013-11-12 US disclosed
US-8580763-B2 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof ZHANGGUI WU (CN) 2013-11-12 US disclosed
US-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof ZHE JIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2010-06-10 US disclosed
US-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof ZHE JIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2010-06-10 US disclosed
EP-2149574-A1 2, 6-DINITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF ZheJiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-02-03 EP 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 (1 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-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof PNP, NUDT1, DPYD MEN1 1653/4885KMT2A 2098/4885MAPT 3712/4885

“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.