SCHEMBL3475266

SCHEMBL3475266

C#Cc1cccnc1N.O=C(O)OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.46
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PRKCI P41743 2/20 0.39
SHMT2 P34897 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CSF1R P07333 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LTA4H P09960 1/20 0.35
MAPK14 Q16539 1/20 0.35
ELANE P08246 1/20 0.35
ATR Q13535 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33

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
SCHEMBL510566 0.84
SCHEMBL1643517 0.75 MAP4K4 (0.46) NAPRTMKNK1MKNK2NOS3NOS1
SCHEMBL21230286 0.70 KDM4E (0.55) NAPRTKDM4EALDH1A1TDP1CYP3A4
Benzene SCHEMBL1202117 0.70 KDM4E (0.55) NAPRTKDM4EALDH1A1TDP1CYP3A4
Bicarbonate SCHEMBL3475263 0.70 KDM4E (0.42) NAPRTKDM4EALDH1A1MKNK1MKNK2
SCHEMBL14715804 0.69 KDM4E (0.40) NAPRTKDM4EALDH1A1MKNK1MKNK2
SCHEMBL5394033 0.69
SCHEMBL1836306 0.67 NAPRT (0.53) NAPRTKDM4EALDH1A1PRKCISHMT2
SCHEMBL2946067 0.67 NAPRT (0.37) NAPRTKDM4EALDH1A1TDP1RECQL
SCHEMBL1202477 0.67 KDM4E (0.50) NAPRTKDM4EALDH1A1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223926-B1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2014-02-12 EP disclosed
US-8513287-B2 Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 US disclosed
EP-2223926-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-09-01 EP disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 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 (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-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME MTOR, ERG28, MTMR1 NAPRT 476/4885KDM4E 1505/4885ALDH1A1 3058/4885

“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.