SCHEMBL4041229

SCHEMBL4041229

COc1cccc(-c2n[c]n[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.52
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
AURKA O14965 1/20 0.46
NOTUM Q6P988 2/20 0.46
NR1I2 O75469 1/20 0.45
CYP1A2 P05177 1/20 0.45
VDR P11473 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
AHR P35869 1/20 0.45
NR1I3 Q14994 1/20 0.45
PIN1 Q13526 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
GAA P10253 2/20 0.43
GRK6 P43250 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
SCHEMBL4052981 0.80 DRD1 (0.44) DCUN1D1CYP1A2CYP2C9
SCHEMBL6616595 0.80 KDM4E (0.49) DYRK1ACLK4NOTUMGAAMAPT
SCHEMBL4050892 0.75 DCUN1D1 (0.49) DCUN1D1CYP1A2GAAMAPTSMN1; SMN2
SCHEMBL4044116 0.75 MGAM (0.42) NOTUMPIN1NISCHGAAGRK6
SCHEMBL1436589 0.74 PIN1 (0.51) DCUN1D1NR1H2NR1H3DYRK1ACLK4
SCHEMBL2653005 0.74 DCUN1D1 (0.49) DCUN1D1NR1H2NR1H3DYRK1ACLK4
SCHEMBL703677 0.72 DCUN1D1 (0.54) DCUN1D1NR1H2NR1H3DYRK1ACLK4
SCHEMBL196765 0.72 CYP3A4 (0.73) DYRK1ACLK4NOTUMCYP1A2CYP2C9
SCHEMBL29489425 0.72 CYP3A4 (0.73) DYRK1ACLK4NOTUMCYP1A2CYP2C9
SCHEMBL14555282 0.71 DCUN1D1 (0.53) DCUN1D1NR1H2NR1H3DYRK1ACLK4

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 DCUN1D1 4505/4885NR1H2 1157/4885NR1H3 1234/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R DCUN1D1 4471/4885NR1H2 1262/4885NR1H3 1346/4885

“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.