SCHEMBL4044619

SCHEMBL4044619

[c]1cc(-c2cncc(-c3ccccc3)c2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CHRNA7 P36544 2/20 0.40
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
ATM Q13315 1/20 0.38
CHRNA3 P32297 3/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 2/20 0.36
CYP3A4 P08684 1/20 0.34
IDO1 P14902 1/20 0.34
CYP19A1 P11511 1/20 0.34
FDPS P14324 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
SMO Q99835 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
SCHEMBL4053215 0.84 NISCH (0.42) CDK5CDK5R1
SCHEMBL4050297 0.82 SCN4A (0.42) CYP3A4IDO1CDK5CDK5R1
SCHEMBL69802 0.82 SCN4A (0.45) CYP3A4IDO1CDK5CDK5R1
SCHEMBL4047215 0.79 CYP1A2 (0.40) CYP11B1CYP11B2CYP3A4IDO1CYP19A1
SCHEMBL2820716 0.77 CYP2A6 (0.55) CYP3A4IDO1CYP19A1
SCHEMBL21692173 0.75 ATM (0.62) MKNK1MKNK2CHRNA7CYP11B1CYP11B2
SCHEMBL722248 0.75 ATM (0.62) MKNK1MKNK2CHRNA7CYP11B1CYP11B2
SCHEMBL28594491 0.72 MKNK1 (0.50) MKNK1MKNK2CHRNA7CYP11B1CYP11B2
SCHEMBL12076750 0.71 MKNK1 (0.57) MKNK1MKNK2CHRNA7CYP11B1CYP11B2
SCHEMBL4047124 0.71 TGFBR1 (0.40) MKNK1CYP3A4CDK5CDK5R1SMO

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.