SCHEMBL4048514

SCHEMBL4048514

[c]1n[nH]c(-c2cccc(-c3ccccc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
MGLL Q99685 1/20 0.37
MAOA P21397 1/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
KMO O15229 1/20 0.36
FGFR1 P11362 1/20 0.36
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL4051736 0.86 NR1H2 (0.39) NISCHRAB9APOLBFGFR1DYRK3
SCHEMBL796065 0.86 NR1H2 (0.42) NISCHRAB9APOLBMEN1KMT2A
SCHEMBL4044627 0.84 MKNK1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4046435 0.80 IDO1 (0.53) KDM4EGAAJAK2ALDH1A1
SCHEMBL4050892 0.80 DCUN1D1 (0.49) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL4048612 0.80 HSD17B1 (0.46) GAAMAPTRXFP1CYP1A2CYP3A4
SCHEMBL4048180 0.80 TGFBR1 (0.47) RAB9APOLBGSK3BNPC1CYP1A2
SCHEMBL4043825 0.78 TGFBR1 (0.43) RAB9APOLBL3MBTL1NPC1CYP1A2
SCHEMBL4044205 0.76 RAB9A (0.57) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL4051331 0.76 NOTUM (0.41) NISCHRAB9AKDM4ENPC1MAPT

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 GP6 3380/4885NISCH 1902/4885MGLL 2677/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R GP6 3527/4885NISCH 1980/4885MGLL 2927/4885

“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.