SCHEMBL1461391

SCHEMBL1461391

c1cnc(C2CCCC[N]2)cn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B2 P19099 1/20 0.31
HSP90AA1 P07900 1/20 0.30
CYP2C9 P11712 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL2645525 0.94 NISCH (0.34) NISCHMAPTHSP90AA1
SCHEMBL449107 0.74 ALDH1A1 (0.44) MAPT
SCHEMBL20995461 0.74 CYP11B2 (0.44) NISCHMAPTCYP11B2HSP90AA1CYP2C9
SCHEMBL3154131 0.73 ALDH1A1 (0.43) MAPTHSP90AA1
SCHEMBL28761033 0.72 CYP11B2 (0.47) MAPTCYP11B2HSP90AA1CYP2C9EPHX2
SCHEMBL3135323 0.72 CYP11B2 (0.47) MAPTCYP11B2HSP90AA1CYP2C9EPHX2
SCHEMBL3003693 0.71 NISCH (0.32) NISCH
SCHEMBL844231 0.71 NISCH (0.39) NISCH
SCHEMBL28912987 0.70 HSP90AA1 (0.34) NISCHMAPTCYP11B2HSP90AA1
SCHEMBL28197535 0.70 MAP4K4 (0.40) NISCHCYP11B2HSP90AA1CYP2C9EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466906-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-13 EP claimed
JP-2002539198-A 2002-11-19 JP claimed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US claimed
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP claimed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
WO-2017029498-A1 2-SULFONYLPYRIMIDINES MEDICAL RESEARCH COUNCIL (GB) 2017-02-23 WO disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
EP-2475643-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-18 EP disclosed
WO-2011026959-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 WO disclosed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
US-7276491-B2 Anticoagulant and fibrinolytic therapy using p38 MAP kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
WO-2003084539-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 WO disclosed
US-20030060455-A1 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-03-27 US disclosed
WO-2003022273-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
US-20020082256-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-06-27 US disclosed
US-20020055507-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-05-09 US disclosed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US disclosed
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 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 (5 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-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 NISCH 3202/4885MAPT 3266/4885CYP11B2 93/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO NISCH 1070/4885MAPT 3138/4885CYP11B2 246/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B NISCH 1613/4885MAPT 911/4885CYP11B2 1642/4885
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 NISCH 298/4885MAPT 4745/4885CYP11B2 472/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO NISCH 1070/4885MAPT 3138/4885CYP11B2 246/4885

“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.