SCHEMBL807995

SCHEMBL807995

Cc1ccncc1N1CCc2cnccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.42
CYP11B1 P15538 9/20 0.42
MAPT P10636 1/20 0.35
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCAT2 O15382 1/20 0.34
SRD5A1 P18405 1/20 0.34
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
SCHEMBL798870 0.89 CYP11B2 (0.47) CYP11B2CYP11B1TDP1BCAT2
SCHEMBL807907 0.89 CYP11B2 (0.43) CYP11B2CYP11B1MAPT
SCHEMBL15466773 0.87 CYP11B2 (0.47) CYP11B2CYP11B1MAPTSRD5A1
SCHEMBL793824 0.85 CYP11B2 (0.46) CYP11B2CYP11B1P2RX7
SCHEMBL793106 0.84 CYP11B2 (0.48) CYP11B2CYP11B1
SCHEMBL793768 0.84 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL15471694 0.84 MAPT (0.43) CYP11B2CYP11B1MAPT
SCHEMBL797877 0.83 CYP11B2 (0.41) CYP11B2CYP11B1MAPT
SCHEMBL15467046 0.83 CYP11B2 (0.41) CYP11B2CYP11B1MAPT
SCHEMBL12467032 0.83 CYP11B2 (0.52) CYP11B2CYP11B1MAPTP2RX7

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 8 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
CN-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 CN 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
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 CYP11B2 30/4885CYP11B1 18/4885MAPT 3507/4885

“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.