SCHEMBL4044219

SCHEMBL4044219

[c]1c[nH]c(-c2ccnc(-c3ccccc3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
PTK2B Q14289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AURKA O14965 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PRKACA P17612 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL4046862 0.79 MEN1 (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4050231 0.78 CYP1A2 (0.40) MTORADKNISCHSMO
SCHEMBL403894 0.75 MTOR (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4046873 0.75 KMT2A (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4044973 0.75 ASIC3 (0.45) MTORADKNISCHSMO
SCHEMBL29620532 0.73 AURKA (0.63) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL190954 0.73 AURKA (0.63) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4048566 0.73 ASIC3 (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4050439 0.73 CYP11B2 (0.42) KMT2AMEN1RAB9AL3MBTL1HPGDS
SCHEMBL2653482 0.73 KDM4E (0.48) KMT2AMAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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 (2 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R KMT2A 2946/4885MEN1 207/4885MAPT 1533/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R KMT2A 2851/4885MEN1 198/4885MAPT 1475/4885

“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.