SCHEMBL4050439

SCHEMBL4050439

[c]1c[nH]c(-c2cncc(-c3ccccc3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.42
CYP11B1 P15538 1/20 0.41
CHEK1 O14757 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
IDO1 P14902 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGDS O60760 1/20 0.33
METAP2 P50579 1/20 0.33
KEAP1 Q14145 1/20 0.33
CYP19A1 P11511 1/20 0.33
FYN P06241 1/20 0.33
NPY5R Q15761 1/20 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
SCHEMBL4046862 0.83 MEN1 (0.55) MEN1RAB9AKMT2AMAPK1CYP1A2
SCHEMBL403894 0.77 MTOR (0.43) MEN1RAB9AKMT2ACYP1A2IDO1
SCHEMBL13996075 0.76 MEN1 (0.62) CYP11B2CYP11B1CHEK1MEN1RAB9A
SCHEMBL4049325 0.75 CYP1A2 (0.41) CYP11B2CYP11B1CHEK1MEN1RAB9A
SCHEMBL4043823 0.75 MKNK1 (0.41) CYP11B2CYP11B1CYP1A2IDO1CYP3A4
SCHEMBL4048566 0.74 ASIC3 (0.46) MEN1RAB9AKMT2ACYP1A2L3MBTL1
SCHEMBL4041670 0.73 MTOR (0.41) MEN1RAB9AKMT2AMAPK1CYP1A2
SCHEMBL4044219 0.73 KMT2A (0.43) MEN1RAB9AKMT2AL3MBTL1HPGDS
SCHEMBL4050231 0.70 CYP1A2 (0.40) CYP1A2PIM1CYP3A4NPY5R
SCHEMBL4044973 0.70 ASIC3 (0.45) CYP1A2PIM1CYP3A4NPY5R

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 CYP11B2 16/4885CYP11B1 18/4885CHEK1 4206/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R CYP11B2 6/4885CYP11B1 9/4885CHEK1 4271/4885

“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.