SCHEMBL2327508

SCHEMBL2327508

FC(F)(F)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.59
NOS2 P35228 1/20 0.59
LOXL2 Q9Y4K0 2/20 0.53
LOX P28300 1/20 0.52
NOTUM Q6P988 1/20 0.44
IDO1 P14902 1/20 0.44
ADRB1 P08588 1/20 0.44
MAPK1 P28482 2/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
ADRB2 P07550 1/20 0.40
CA2 P00918 1/20 0.40
CHKA P35790 1/20 0.40
AR P10275 1/20 0.40
KCNQ2 O43526 1/20 0.38
KIF11 P52732 1/20 0.38
AURKA O14965 1/20 0.38
CES2 O00748 1/20 0.38
MAP4K4 O95819 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2609325 0.85 NOS3 (0.53) NOS3NOS2LOXL2LOXADRB1
SCHEMBL91323 0.85 LOXL2 (0.48) NOS3NOS2LOXL2LOXNOTUM
SCHEMBL30636504 0.81 SYK (0.47) NOS3NOS2LOXL2LOXNOTUM
SCHEMBL18745826 0.80 LOXL2 (0.49) NOS3NOS2LOXL2LOXNOTUM
SCHEMBL20031366 0.78 NOS3 (0.47) NOS3NOS2LOXL2LOXADRB1
SCHEMBL20402487 0.78 NOS3 (0.47) NOS3NOS2LOXL2LOXADRB1
SCHEMBL810884 0.78 NOS3 (0.61) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL607015 0.76 NOS3 (0.59) NOS3NOS2LOXL2IDO1ADRB1
SCHEMBL30328281 0.76 LOXL2 (0.53) NOS3NOS2LOXL2LOXNOTUM
SCHEMBL2642373 0.76 LOXL2 (0.53) NOS3NOS2LOXL2LOXNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476600-A Pyrithione, pharmaceutical compositions thereof and therapeutic use thereof for treating proliferative, inflammatory, neurodegenerative or immune-mediated diseases 拜欧赛里克斯公司 2019-03-15 CN claimed
US-20170294605-A1 Iridium complex, method for manufacturing same, and organic light-emitting devices using same AAC Technologies Pte. Ltd. (SG) 2017-10-12 US claimed
US-20170294606-A1 Iridium complex, method for manufacturing same, and organic light-emitting devices using same AAC Technologies Pte. Ltd. (SG) 2017-10-12 US claimed
CN-105777812-A Iridium complex, preparation method thereof and electroluminescent device applying iridium complex 瑞声光电科技(常州)有限公司 2016-07-20 CN claimed
CN-105732724-A Iridium complex, preparation method thereof and electroluminescent device applying same 瑞声光电科技(常州)有限公司 2016-07-06 CN claimed
WO-2024061804-A1 AN ELECTROLUMINESCENT DEVICE COMPRISING AN ANODE LAYER, A CATHODE LAYER, A FIRST EMISSION LAYER, A HOLE INJECTION LAYER AND A FIRST HOLE TRANSPORT LAYER THAT COMPRISES A COMPOUND CONTAINING A METAL NOVALED GMBH (DE) 2024-03-28 WO disclosed
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 WO disclosed
EP-4223739-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2023-08-09 EP disclosed
WO-2022263530-A1 (THI)OXAZOLINE PESTICIDES ELANCO TIERGESUNDHEIT AG (US) 2022-12-22 WO disclosed
US-20220389007-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-12-08 US disclosed
CN-109476600-A Pyrithione, pharmaceutical compositions thereof and therapeutic use thereof for treating proliferative, inflammatory, neurodegenerative or immune-mediated diseases 拜欧赛里克斯公司 2019-03-15 CN disclosed
US-20170294606-A1 Iridium complex, method for manufacturing same, and organic light-emitting devices using same AAC Technologies Pte. Ltd. (SG) 2017-10-12 US disclosed
CN-105263935-A 6, 7-dihydropyrazolo [1,5-a ] pyrazin-4 (5H) -one compounds and their use as negative allosteric modulators of MGLUR2 receptors JANSSEN PHARMACEUTICA NV 2016-01-20 CN disclosed
EP-2531492-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES Heptares Therapeutics Limited (GB) 2012-12-12 EP disclosed
WO-2011095625-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2011-08-11 WO disclosed
US-5670656-A Process for preparing pyrrolidinones ZENECA LIMITED (GB) 1997-09-23 US disclosed
US-4563529-A VAPOR PHASE CATALYTIC FLUORINATION OF PICOLINES OR LUTIDINES ISHIHARA SANGYO KAISHA LTD. (JP) 1986-01-07 US disclosed
US-4474599-A 1-(Pyridyl)-1H-1,2,3-triazole derivatives, and use as herbicidal agents THE DOW CHEMICAL COMPANY (US) 1984-10-02 US disclosed
EP-0042696-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYLPYRIDINES ISHIHARA SANGYO KAISHA LTD. (JP) 1983-11-16 EP disclosed
EP-0042696-A1 Process for producing trifluoromethylpyridines ISHIHARA SANGYO KAISHA LTD. (JP) 1981-12-30 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 (3 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-20220389007-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NOS3 2529/4885NOS2 2271/4885LOXL2 4586/4885
US-20170294605-A1 Iridium complex, method for manufacturing same, and organic light-emitting devices using same ORC3, ORMDL3, TYK2 NOS3 3762/4885NOS2 3507/4885LOXL2 299/4885
US-20170294606-A1 Iridium complex, method for manufacturing same, and organic light-emitting devices using same ODC1, ORC3, DDC NOS3 3716/4885NOS2 3143/4885LOXL2 2269/4885

“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.