SCHEMBL793698

SCHEMBL793698

Nc1nc2ccc3c(c2s1)C(=O)NCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PDE4B Q07343 1/20 0.37
LCK P06239 1/20 0.36
PARP10 Q53GL7 7/20 0.35
PARP1 P09874 6/20 0.35
PARP11 Q9NR21 2/20 0.35
PDPK1 O15530 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
CHEK1 O14757 1/20 0.34
GRM5 P41594 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6331513 0.79 ALDH1A1 (0.42) DRD2DRD3HTR1AHTR7DRD1
SCHEMBL807493 0.74 MAP3K11 (0.38) PDE4BLCKPARP10PARP1PARP11
SCHEMBL6332046 0.70 DRD2 (0.40) DRD2DRD3HTR1AHTR7DRD1
SCHEMBL6265213 0.70 DRD2 (0.40) DRD2DRD3HTR1AHTR7DRD1
SCHEMBL22993546 0.68 ALDH1A1 (0.55) DRD2DRD3ALDH1A1MAPTSMN1; SMN2
SCHEMBL18640762 0.67 CHEK1 (0.49) PDE4BLCKPARP10PARP1PARP11
SCHEMBL15830724 0.66 PARP10 (0.47) ALDH1A1PDE4BLCKPARP10PARP1
SCHEMBL11702026 0.66 MAPT (0.52) DRD2DRD3HTR1AHTR7DRD1
SCHEMBL12087017 0.66 PARP1 (0.41) DRD2DRD4PDE4BLCKPARP10
SCHEMBL17330360 0.66 PARP10 (0.47) ALDH1A1MAPTPDE4BLCKPARP10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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 (1 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 DRD2 3318/4885DRD3 2086/4885HTR1A 1539/4885

“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.