SCHEMBL1733770

SCHEMBL1733770

Nc1ncccc1-c1nnc(Cc2ccc(O)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
GPR55 Q9Y2T6 1/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HDAC6 Q9UBN7 1/20 0.38
CXCR4 P61073 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
EGFR P00533 1/20 0.37
KMT2A Q03164 2/20 0.36

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
SCHEMBL7603753 0.83 RAB9A (0.50) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL7606886 0.81 L3MBTL1 (0.46) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL26686648 0.78 SMN1; SMN2 (0.44) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL12369671 0.77 LRRK2 (0.46) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL26686786 0.76 RAB9A (0.38) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL1732415 0.75 S1PR1 (0.49) SMN1; SMN2RAB9ANPC1TSHRMAPK1
SCHEMBL12395272 0.75 MAPT (0.44) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL5235484 0.72 ESR1 (0.46) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL5640654 0.71 NPC1 (0.73) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL9392352 0.70 KEAP1 (0.52) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 HPGD 2996/4885SMN1; SMN2 4143/4885RAB9A 1677/4885

“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.