SCHEMBL4046262

SCHEMBL4046262

[c]1nc(-c2cncc(-c3ccccc3)c2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CHRNA7 P36544 2/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 0.38
CHRNA3 P32297 3/20 0.37
CHRNB4 P30926 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 2/20 0.36
USP30 Q70CQ3 1/20 0.36
AXL P30530 1/20 0.34

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
SCHEMBL4049981 0.84 KMO (0.40) AKT1AKT2
SCHEMBL4047707 0.82 AKT1 (0.42) AKT1AKT2GABRA1GABRG2GABRB3
SCHEMBL63014 0.82 RAB9A (0.41) AKT1AKT2GABRA1GABRG2GABRB3
SCHEMBL2362742 0.77 CYP2A6 (0.50) MKNK1MKNK2CYP19A1AXL
SCHEMBL4050082 0.77 CYP1A2 (0.41) AKT1AKT2CYP11B1CYP11B2CYP19A1
SCHEMBL21692173 0.75 ATM (0.62) MKNK1MKNK2CHRNA7CYP11B1CYP11B2
SCHEMBL722248 0.75 ATM (0.62) MKNK1MKNK2CHRNA7CYP11B1CYP11B2
SCHEMBL4051854 0.72 ASIC3 (0.46) MKNK1USP30SMO
SCHEMBL4051363 0.72 ASIC3 (0.39) MKNK1AKT1AKT2USP30FDPS
SCHEMBL12076750 0.71 MKNK1 (0.57) MKNK1MKNK2CHRNA7CYP11B1CYP11B2

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 MKNK1 2126/4885MKNK2 1923/4885CHRNA7 950/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MKNK1 2106/4885MKNK2 1852/4885CHRNA7 889/4885

“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.