SCHEMBL536809

SCHEMBL536809

CC(=O)Nc1nc2c(c(OC(=O)N(c3ccccc3)c3ccccc3)n1)NC=[N+]2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 3/20 0.34
TSHR P16473 3/20 0.34
ALOX15 P16050 3/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.31
ACHE P22303 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL18941357 0.74 NPSR1 (0.38) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL803116 0.74 NPSR1 (0.41) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL31059170 0.74 NPSR1 (0.41) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL536795 0.73 NEK2 (0.43) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL8715386 0.72 NEK2 (0.42) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL8064272 0.70 NPSR1 (0.36) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL18941371 0.64 ADORA1 (0.40) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL29552357 0.63 ADORA1 (0.41) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL20394079 0.63 ADORA1 (0.41) NPSR1L3MBTL1ATMTDP1ADORA3
SCHEMBL28928358 0.61 ADORA1 (0.41) NPSR1L3MBTL1ATMTDP1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675123-B1 Cyclopropane derivatives and method of preparing the same AJINOMOTO KK (JP) 2001-02-21 EP claimed
US-5925756-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1999-07-20 US claimed
EP-0675123-A1 Cyclopropane derivatives and method of preparing the same Ajinomoto Co., Inc. (JP) 1995-10-04 EP claimed
EP-2415777-B1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL (JP) 2015-07-29 EP disclosed
US-8653254-B2 Process for producing nucleoside TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-18 US disclosed
US-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2415777-A1 PROCESS FOR PRODUCING NUCLEOSIDE Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
EP-0675123-B1 Cyclopropane derivatives and method of preparing the same AJINOMOTO KK (JP) 2001-02-21 EP disclosed
US-5925756-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1999-07-20 US disclosed
US-5808134-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., LTD. (JP) 1998-09-15 US disclosed
US-5777116-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1998-07-07 US disclosed
EP-0675123-A1 Cyclopropane derivatives and method of preparing the same Ajinomoto Co., Inc. (JP) 1995-10-04 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-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE NUDT1, PNP, HPRT1 NPSR1 752/4885L3MBTL1 3853/4885ATM 4367/4885

“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.