SCHEMBL2946067

SCHEMBL2946067

C#Cc1cccnc1N(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 3/20 0.37
KDM4E B2RXH2 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
AGER Q15109 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P4HTM Q9NXG6 1/20 0.32
RECQL P46063 1/20 0.31
FFAR1 O14842 1/20 0.31
KMT2A Q03164 4/20 0.31
CYP1A2 P05177 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
Benzene SCHEMBL1202117 0.73 KDM4E (0.55) NAPRTKDM4ETDP1L3MBTL1MAPT
SCHEMBL21230286 0.73 KDM4E (0.55) NAPRTKDM4ETDP1L3MBTL1MAPT
SCHEMBL1202477 0.72 KDM4E (0.50) NAPRTKDM4ETDP1L3MBTL1MAPT
SCHEMBL25265941 0.70 PAX8 (0.36) KDM4EL3MBTL1LMNA
Bicarbonate SCHEMBL3475263 0.69 KDM4E (0.42) NAPRTKDM4ETDP1L3MBTL1MAPT
SCHEMBL14715804 0.68 KDM4E (0.40) NAPRTKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL1040656 0.67
SCHEMBL5064508 0.67 KDM4E (0.47) NAPRTKDM4ETDP1L3MBTL1MAPT
SCHEMBL3475266 0.67 NAPRT (0.46) NAPRTKDM4ETDP1L3MBTL1MAPT
SCHEMBL29003 0.66 TDP1 (0.39) KDM4ETDP1MAPTCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
CN-102702185-A Crystals of salts of heterocyclic-substituted pyridine derivatives EISAI R&D MAN CO LTD 2012-10-03 CN disclosed
CN-101622251-B Salt of heterocyclic substituted pyridine derivative or crystal thereof EISAI R & D MAN CO LTD JP 2012-07-04 CN disclosed
US-8188119-B2 Pyridine derivatives substituted with heterocyclic ring and γ-glutamylamino group, and antifungal agents containing same EISAI R&D MANAGEMENT CO., LTD (JP) 2012-05-29 US disclosed
CN-102186846-A Pyridine derivatives substituted with heterocycle and gamma-glutamylamino group and antifungal agent containing the same EISAI R&D MAN CO LTD 2011-09-14 CN disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
EP-2141171-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOAMINO AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP disclosed
CN-101622251-A Salt of heterocyclic substituted pyridine derivative or crystal thereof EISAI R&D MAN CO LTD 2010-01-06 CN disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 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 (3 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-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, ERG28, GLUL NAPRT 3392/4885KDM4E 4127/4885TDP1 4158/4885
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 NAPRT 3219/4885KDM4E 1448/4885TDP1 4070/4885
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 NAPRT 2677/4885KDM4E 3045/4885TDP1 3169/4885

“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.