SCHEMBL746371

SCHEMBL746371

N#Cc1ccc(-c2cncc(C=O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.49
XDH P47989 1/20 0.48
KCNH2 Q12809 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CYP11B1 P15538 4/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
RIPK1 Q13546 1/20 0.41
MMP3 P08254 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALPL P05186 1/20 0.39
PARP1 P09874 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL29987290 0.83 GABRG2 (0.48) CYP11B2XDHCYP11B1GABRA1GABRG2
SCHEMBL28881250 0.83 GABRG2 (0.48) CYP11B2XDHCYP11B1GABRA1GABRG2
SCHEMBL31180051 0.80 PTGS2 (0.38) KDM1AHDAC1
SCHEMBL1356430 0.80 PTGS2 (0.38) KDM1AHDAC1
SCHEMBL28881566 0.80 CYP11B2 (0.45) CYP11B2XDHKCNH2SCN10ACDK5
SCHEMBL29987911 0.80 CYP11B2 (0.45) CYP11B2XDHKCNH2SCN10ACDK5
SCHEMBL28881564 0.80 CYP11B2 (0.45) CYP11B2XDHKCNH2SCN10ACDK5
SCHEMBL3941691 0.78 RAF1 (0.50) CYP11B2CYP11B1
SCHEMBL31586111 0.78 RAF1 (0.50) CYP11B2CYP11B1
SCHEMBL3189884 0.78 HDAC2 (0.53) CYP11B2MMP3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304591-B Bridged ring steroid synthetase inhibitor and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2024-10-01 CN disclosed
CN-115304591-A Bridged steroid synthetase inhibitor and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2022-11-08 CN disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
EP-2429995-B1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 US disclosed
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 US disclosed
EP-2429995-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130796-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 WO disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US 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 (3 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-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885XDH 135/4885KCNH2 1422/4885
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885XDH 135/4885KCNH2 1422/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885XDH 135/4885KCNH2 1422/4885

“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.