SCHEMBL5449385

SCHEMBL5449385

CCCC[N]N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.32
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 0.30
CA2 P00918 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
SCHEMBL5454861 0.92 NAAA (0.37) TSHRLMNATHRBCA12CA1
SCHEMBL6968769 0.87 TSHR (0.32) TSHRCA12CA1CA9CA2
SCHEMBL6975507 0.87 CA12 (0.35) TSHRCA12CA1CA9CA2
SCHEMBL838600 0.81
SCHEMBL7472255 0.80 DNM1 (0.32) TSHRLMNATHRBCA12CA1
SCHEMBL1796805 0.80 CA12 (0.36) TSHRLMNATHRBCA12CA1
SCHEMBL6962258 0.76 CA12 (0.33) CA12CA1CA9CA2
SCHEMBL6973642 0.76 CA12 (0.35) TSHRCA12CA1CA9CA2
SCHEMBL6967181 0.74
SCHEMBL6978121 0.74 CA12 (0.30) CA12CA1CA9CA2

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
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US claimed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP claimed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US claimed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US claimed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US claimed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP claimed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP claimed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO claimed
US-9765105-B2 Macrolide compound PULIKE BIOLOGICAL ENGINEERING, INC. (CN) 2017-09-19 US disclosed
US-20160304547-A1 MACROLIDE COMPOUND PULIKE BIOLOGICAL ENGINEERING, INC. (CN) 2016-10-20 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP 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 (2 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-20160304547-A1 MACROLIDE COMPOUND CFTR, CEL, NPC1L1 TSHR 3650/4885LMNA 150/4885THRB 4747/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 TSHR 1602/4885LMNA 4386/4885THRB 3877/4885

“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.