SCHEMBL793755

SCHEMBL793755

Cc1ccncc1N1CCc2ccc(Oc3ncc(F)cn3)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP11B2 P19099 5/20 0.37
CYP11B1 P15538 2/20 0.37
DRD2 P14416 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AOC3 Q16853 2/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL793208 0.83 CYP19A1 (0.44) CYP11B2CYP11B1DRD2
SCHEMBL793205 0.82 PDE10A (0.41) CYP11B2CYP11B1
SCHEMBL798658 0.81 JAK2 (0.38) DRD2HRH3
SCHEMBL807835 0.79 CYP11B2 (0.42) CYP11B2CYP11B1HRH3P2RX7
SCHEMBL807968 0.79 F10 (0.41)
SCHEMBL15471694 0.79 MAPT (0.43) CYP11B2CYP11B1
SCHEMBL793824 0.78 CYP11B2 (0.46) CYP11B2CYP11B1DRD2P2RX7
SCHEMBL12467032 0.78 CYP11B2 (0.52) CYP11B2CYP11B1P2RX7
SCHEMBL797877 0.78 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL793768 0.77 CYP11B2 (0.41) CYP11B2CYP11B1

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 PRMT5 413/4885WDR77 394/4885CYP11B2 30/4885

“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.