SCHEMBL157195

SCHEMBL157195

Nc1nccc(C(F)(F)F)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.46
NOS2 P35228 7/20 0.46
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NOS1 P29475 3/20 0.34
BACE1 P56817 2/20 0.34
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
NCF1 P14598 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
LOX P28300 1/20 0.33
PIK3CD O00329 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HTT P42858 1/20 0.32
RIPK1 Q13546 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL29435659 1.00 NOS3 (0.46) NOS3NOS2TSHRGLAPOLB
SCHEMBL30356572 0.80 NOS3 (0.41) NOS3NOS2TSHRGLAPOLB
SCHEMBL29460079 0.78 PIK3CD (0.45) NOS3NOS2TSHRGLAPOLB
SCHEMBL31097846 0.78 NOS2 (0.39) NOS3NOS2TSHRGLAPOLB
SCHEMBL30401019 0.78 NOS3 (0.39) NOS3NOS2TSHRGLAPOLB
SCHEMBL31358429 0.78 NOS3 (0.39) NOS3NOS2TSHRGLAPOLB
SCHEMBL31312548 0.78 NOS2 (0.54) NOS3NOS2TSHRGLAPOLB
SCHEMBL11710154 0.78 NOS3 (0.39) NOS3NOS2TSHRGLAPOLB
SCHEMBL21543486 0.78 PIK3CD (0.45) NOS3NOS2TSHRGLAPOLB
SCHEMBL20088854 0.78 NOS2 (0.39) NOS3NOS2TSHRGLAPOLB

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 157 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-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
EP-1252890-B1 REMEDIES OR PREVENTIVES FOR DIGESTIVE DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA (JP) 2008-07-02 EP claimed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 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-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP 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
US-5032279-A Placing a mixture of solutions on one side of filter and one preferentially passes through; permselectivity OCCIDENTAL CHEMICAL CORPORATION (US) 1991-07-16 US claimed
EP-0428095-A2 Solvent resistant polyimidesiloxane OCCIDENTAL CHEMICAL CORPORATION (US) 1991-05-22 EP claimed
EP-0418883-A1 Separation of fluids using polyimidesiloxane membrane OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-27 EP claimed
US-4997908-A Polyimide-siloxane copolymer OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-05 US 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 (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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 NOS3 1525/4885NOS2 2809/4885TSHR 4155/4885
US-20120059039-A1 ANTI-SHOCK AGENT COMPRISING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVE LITAF, HSF1, MYD88 NOS3 457/4885NOS2 408/4885TSHR 4327/4885

“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.