SCHEMBL12523949

SCHEMBL12523949

CC(NC1CC1)c1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
CDC7 O00311 6/20 0.42
MAP4K4 O95819 3/20 0.42
PIM1 P11309 3/20 0.42
PRKACA P17612 3/20 0.42
FLT3 P36888 3/20 0.42
GSK3B P49841 3/20 0.42
JAK3 P52333 3/20 0.42
HIPK2 Q9H2X6 3/20 0.42
DAPK3 O43293 2/20 0.42
PRKD3 O94806 2/20 0.42
PAK4 O96013 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CLK2 P49760 2/20 0.42
CDK7 P50613 2/20 0.42
PRKX P51817 2/20 0.42
MAP4K2 Q12851 2/20 0.42
STK3 Q13188 2/20 0.42
DYRK1A Q13627 2/20 0.42

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
SCHEMBL19826342 1.00 AXL (0.44) AXLGPR84CDC7MAP4K4PIM1
SCHEMBL820352 0.78 AXL (0.55) AXLGPR84CDC7MAP4K4PIM1
SCHEMBL30068926 0.78 AXL (0.55) AXLGPR84CDC7MAP4K4PIM1
SCHEMBL2548826 0.78 GPR84 (0.54) GPR84MAPK1KMT2AHTR2AHTR2C
SCHEMBL31309074 0.75 GAA (0.41) GPR84ROCK2
SCHEMBL22094404 0.75 GAA (0.41) GPR84ROCK2
SCHEMBL22430456 0.75 AXL (0.51) AXLGPR84CDC7MAP4K4PIM1
SCHEMBL21912529 0.75 AXL (0.51) AXLGPR84CDC7MAP4K4PIM1
SCHEMBL27590571 0.75 AXL (0.51) AXLGPR84CDC7MAP4K4PIM1
SCHEMBL12491066 0.75 AXL (0.51) AXLGPR84CDC7MAP4K4PIM1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104640847-B Novel Renin Inhibitors 上海医药集团股份有限公司 2019-10-15 CN disclosed
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-12-18 US disclosed
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
CN-104640847-A Novel Renin Inhibitors SHANGHAI PHARMACEUTICALS HOLDING CO LTD 2015-05-20 CN disclosed
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 EP disclosed
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 EP disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 US disclosed
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 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 (4 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 AXL 1181/4885GPR84 956/4885CDC7 3658/4885
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound REN, AGTR1, AGTR2 AXL 1181/4885GPR84 956/4885CDC7 3658/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE AXL 1550/4885GPR84 800/4885CDC7 3435/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 AXL 1181/4885GPR84 956/4885CDC7 3658/4885

“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.