SCHEMBL4053635

SCHEMBL4053635

COc1cccc(-c2c[c]n[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
NISCH Q9Y2I1 1/20 0.48
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
NOTUM Q6P988 2/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
NPY5R Q15761 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL1896562 0.80 DRD1 (0.44)
SCHEMBL7462854 0.80 SCN4A (0.53) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4053215 0.76 NISCH (0.42) GAAGSK3BCDK5CDK5R1NISCH
SCHEMBL69536 0.75 HSD17B1 (0.46) CCNB2CDK1CCNB1CCNB3DYRK1A
SCHEMBL1898754 0.75 IDO1 (0.49) NISCHNOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL1896660 0.75 NOTUM (0.54) GAANOTUMNPY5RKDM4EALDH1A1
SCHEMBL4041106 0.75 ALDH1A1 (0.41) GAADCUN1D1KDM4EALDH1A1MAPT
SCHEMBL20769936 0.73 NPC1 (0.69) GAACCNB2CDK1CCNB1GSK3A
SCHEMBL69802 0.73 SCN4A (0.45) GAACCNB2CDK1CCNB1GSK3A
SCHEMBL1608353 0.72 MAPT (0.63) GAACDK1NOTUMNR1H2NR1H3

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 GAA 1411/4885CCNB2 1066/4885CDK1 1537/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R GAA 1654/4885CCNB2 1213/4885CDK1 1454/4885

“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.