SCHEMBL3782541

SCHEMBL3782541

FC(F)(F)c1ccnc(C2CNC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51
CHRNB4 P30926 3/20 0.51
CHRNA3 P32297 3/20 0.51
MAPK1 P28482 1/20 0.50
ADRB1 P08588 1/20 0.46
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
MAP3K12 Q12852 7/20 0.45
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
DLK1 P80370 1/20 0.40
CHRNA1 P02708 1/20 0.40
ESR1 P03372 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL31061341 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3MAPK1
SCHEMBL21036134 0.87 MAPK1 (0.56) MAPK1ADRB1MAP3K12HTR2CDLK1
Hydrochloric Acid SCHEMBL31598316 0.86 MAP3K12 (0.55) MAPK1ADRB1MAP3K12HTR2CDLK1
Hydrochloric Acid SCHEMBL21003067 0.86 MAP3K12 (0.55) MAPK1ADRB1MAP3K12HTR2CDLK1
SCHEMBL2338512 0.84 NOS3 (0.50) MAPK1ADRB1NOS3NOS2MAP3K12
SCHEMBL7074219 0.83 MAPK1 (0.58) MAPK1ADRB1NOS3NOS2MAP3K12
Hydrochloric Acid SCHEMBL31061313 0.82 MAPK1 (0.57) MAPK1ADRB1MAP3K12HTR2CDLK1
SCHEMBL28284245 0.81 NOS3 (0.47) MAPK1ADRB1NOS3NOS2MAP3K12
SCHEMBL28282678 0.79 NOS3 (0.46) MAPK1ADRB1NOS3NOS2MAP3K12
SCHEMBL29992046 0.78 NOS3 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3MAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253499-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US disclosed
US-11253499-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US disclosed
EP-3668854-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-12 EP disclosed
EP-3668854-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-12 EP disclosed
EP-3668854-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-06-24 EP disclosed
US-20200170997-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 US disclosed
US-20200170997-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 US disclosed
CN-111225909-A Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2020-06-02 CN disclosed
WO-2019034702-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 WO disclosed
WO-2019034702-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 WO disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 WO disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 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 (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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CHRNB2 1159/4885CHRNA4 852/4885CHRNB4 1806/4885
US-11253499-B2 Compounds SDHA, SDHB, FDPS CHRNB2 4732/4885CHRNA4 4835/4885CHRNB4 4816/4885
US-20200170997-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS CHRNB2 4572/4885CHRNA4 4841/4885CHRNB4 4736/4885

“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.