SCHEMBL1734017

SCHEMBL1734017

Nc1ncccc1-c1nn[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.61
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 2/20 0.51
PBRM1 Q86U86 1/20 0.51
GAA P10253 1/20 0.51
LDHA P00338 1/20 0.51
GPR35 Q9HC97 2/20 0.46

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
SCHEMBL16432027 0.76 MAP4K4 (0.53) MEN1KMT2AKDM4EGAA
SCHEMBL27021634 0.76 ALDH1A1 (0.56) IDO1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6472013 0.76 IDO1 (1.00) IDO1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL3589515 0.75 MEN1 (0.55) IDO1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL31419367 0.73 ALDH1A1 (0.53) IDO1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL10062975 0.73 MAP4K4 (0.59) MEN1KMT2AKDM4EGAA
SCHEMBL1732769 0.73 IDO1 (0.53) IDO1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL1732673 0.73 MKNK1 (0.44)
SCHEMBL31324840 0.72 KDM4E (0.61) IDO1MEN1ALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL27926408 0.71 IDO1 (0.71) IDO1MEN1ALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022048533-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2022-03-10 WO disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 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-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 IDO1 85/4885MEN1 990/4885ALDH1A1 2165/4885

“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.