SCHEMBL1312948

SCHEMBL1312948

[CH2]c1cc(C(F)(F)F)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
ADRB1 P08588 1/20 0.43
MAPK1 P28482 2/20 0.40
ADRB2 P07550 2/20 0.39
KIF11 P52732 2/20 0.37
AURKA O14965 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
KMO O15229 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
NCF1 P14598 1/20 0.34
SORT1 Q99523 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL4878468 0.77 KIF11 (0.38) NOS3NOS2KIF11ALDH1A1GAA
SCHEMBL810884 0.76 NOS3 (0.61) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL2327508 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL607015 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL29518423 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL119912 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2
Hydrochloric Acid SCHEMBL19837612 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL4397763 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL1312951 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL1507293 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
CN-102256983-A Spirooxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-11-23 CN claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US claimed
CN-101238128-A Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL MYERS SQUIBB CO (US) 2008-08-06 CN claimed
US-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US claimed
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1301481-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 NOS3 3737/4885NOS2 3199/4885ADRB1 93/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX NOS3 194/4885NOS2 50/4885ADRB1 3463/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K NOS3 2816/4885NOS2 3213/4885ADRB1 2597/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 NOS3 1451/4885NOS2 2423/4885ADRB1 79/4885

“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.