SCHEMBL157196

SCHEMBL157196

Nc1ccnc(C(F)(F)F)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NOS3 P29474 2/20 0.42
NOS2 P35228 2/20 0.42
NCF1 P14598 1/20 0.34
NR4A2 P43354 3/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
SOS2 Q07890 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LOX P28300 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL16221723 0.83 HTT (0.40) HTTHSD17B10NOS3NOS2NCF1
SCHEMBL16992858 0.80 HTT (0.49) HTTHSD17B10NOS3NOS2NCF1
SCHEMBL21598467 0.78 HTT (0.47) HTTHSD17B10NOS3NOS2NCF1
SCHEMBL29023076 0.78 HTT (0.47) HTTHSD17B10NOS3NOS2NCF1
SCHEMBL21598605 0.78 HTT (0.40) HTTHSD17B10NOS3NOS2NR4A2
SCHEMBL30050747 0.78 HTT (0.47) HTTHSD17B10NOS3NOS2NCF1
Hydrochloric Acid SCHEMBL16992973 0.78 HTT (0.47) HTTHSD17B10NOS3NOS2NCF1
SCHEMBL22260115 0.74 HTT (0.37) HTTHSD17B10NOS3NOS2LOXL2
SCHEMBL31145846 0.74 HTT (0.47) HTTHSD17B10NOS3NOS2LOXL2
SCHEMBL16856989 0.74 HTT (0.47) HTTHSD17B10NOS3NOS2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436672-B1 ANTI-SHOCK AGENT COMPRISING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2017-04-12 EP claimed
US-8604212-B2 Anti-shock agent comprising diaminotrifluoromethylpyridine derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-12-10 US claimed
US-20120059039-A1 ANTI-SHOCK AGENT COMPRISING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVE ISHIHARA SANGYO KAISHA LTD (JP) 2012-03-08 US claimed
EP-1252890-B1 REMEDIES OR PREVENTIVES FOR DIGESTIVE DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA (JP) 2008-07-02 EP claimed
EP-1252889-B1 REMEDIES OR PREVENTIVES FOR PULMONARY INSUFFICIENCY CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA (JP) 2006-08-09 EP claimed
EP-1252891-B1 Use of DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES FOR the prevention and treatment of LIVER DISEASES ISHIHARA SANGYO KAISHA (JP) 2005-10-05 EP claimed
EP-0971711-B1 ANTICANCER COMPOSITION COMPRISING A DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2004-12-29 EP claimed
US-6664279-B2 Cirrhosis ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-12-16 US claimed
US-6653333-B2 Especially N-(2-ethylsulfonylamino-5-trifluoromethyl-3-pyridyl)cyclohexane; treating inflammatory bowel diseases, gastritis and peptic ulcer. ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-11-25 US claimed
US-6635665-B2 Acute respiratory distress syndrome and chronic obstructive pulmonary disease ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-10-21 US claimed
EP-1252889-A1 REMEDIES OR PREVENTIVES FOR PULMONARY INSUFFICIENCY CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-10-30 EP claimed
US-6197796-B1 Anticancer composition comprising a diaminotrifluoromethylpyridine derivative ISHIHARA SANGYO KAISHA LTD. (JP) 2001-03-06 US claimed
EP-0971711-A1 ANTICANCER COMPOSITION COMPRISING A DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-01-19 EP claimed
WO-1998037887-A1 ANTICANCER COMPOSITION COMPRISING A DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVE ISHIHARA SANGYO KAISHA LTD. (JP) 1998-09-03 WO claimed
EP-0465913-B1 Diaminotrifluoromethylpyrimidine derivatives, process for their production and phospholipase A2 inhibitor containing them ISHIHARA SANGYO KAISHA (JP) 1997-09-10 EP claimed
US-5492908-A ANTIARTHRITIC ISHIHARA SANGYO KAISHA LTD. (JP) 1996-02-20 US claimed
US-5348967-A Diaminotrifluoromethylpyridine derivatives, process for their production and phospholipase A2 inhibitor containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1994-09-20 US claimed
US-5260320-A Diaminotrifluoromethylpyridine compounds and phospholipase A2 inhibitor containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1993-11-09 US claimed
US-5229403-A Enzyme inhibitors, antiinflammatory ISHIHARA SANGYO KAISHA LTD. (JP) 1993-07-20 US claimed
EP-0465913-A2 Diaminotrifluoromethylpyrimidine derivatives, process for their production and phospholipase A2 inhibitor containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-01-15 EP claimed

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-20120059039-A1 ANTI-SHOCK AGENT COMPRISING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVE LITAF, HSF1, MYD88 HTT 4856/4885HSD17B10 4605/4885NOS3 457/4885

“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.