SCHEMBL4045625

SCHEMBL4045625

[c]1n[nH]c(-c2cnc3ccccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50
PDGFRB P09619 4/20 0.49
PDGFRA P16234 4/20 0.49
CYP2A6 P11509 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
BIRC5 O15392 1/20 0.45
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.42
MGAM O43451 1/20 0.41
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40

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
SCHEMBL4051331 0.77 NOTUM (0.41) NISCHCA12CYP1A2
SCHEMBL32667946 0.75 PDGFRB (0.77) TOP2ATOP2BPDGFRBPDGFRACYP2A6
SCHEMBL2772360 0.75 PDGFRB (0.77) TOP2ATOP2BPDGFRBPDGFRACYP2A6
SCHEMBL2652513 0.75 TOP2A (0.50) TOP2ATOP2BPDGFRBPDGFRACYP2A6
SCHEMBL12442700 0.74 TOP2A (0.52) TOP2ATOP2BPDGFRBPDGFRACYP2A6
SCHEMBL2217103 0.73 TOP2A (0.51) TOP2ATOP2BPDGFRBPDGFRACYP2A6
SCHEMBL1897272 0.72 NISCH (0.49) TOP2ATOP2BPDGFRBPDGFRACYP2A6
SCHEMBL1288312 0.71 PDGFRB (0.56) TOP2ATOP2BPDGFRBPDGFRACYP2A6
SCHEMBL4046373 0.71 BTK (0.54) CYP2A6CYP1A2GRM4
SCHEMBL708999 0.70 PDGFRB (0.75) TOP2ATOP2BPDGFRBPDGFRACYP2A6

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 TOP2A 2378/4885TOP2B 2256/4885PDGFRB 2352/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R TOP2A 2661/4885TOP2B 2530/4885PDGFRB 2366/4885

“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.