SCHEMBL12724853

SCHEMBL12724853

CC(C)(C)c1ccc(C#N)o1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
KIF11 P52732 1/20 0.33
CYP2A6 P11509 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL3197844 0.77 MITF (0.33)
SCHEMBL1993729 0.74
SCHEMBL47577 0.74 MITF (0.36)
SCHEMBL1489553 0.69
SCHEMBL20111210 0.68 PGR (0.30)
SCHEMBL18631497 0.67 CHRM2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CYP2A6
SCHEMBL2301283 0.65 CHRM2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CYP2A6
SCHEMBL11892171 0.65 LMNA (0.31)
SCHEMBL3299984 0.64
SCHEMBL21720511 0.64 MITF (0.32) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685408-B Preparation method of alkyl furan compound 华南理工大学 2024-04-23 CN disclosed
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2022-12-06 US disclosed
CN-114685408-A Preparation method of alkyl furan compound 华南理工大学 2022-07-01 CN disclosed
US-20210290784-A1 POSITRON EMISSION TOMOGRAPHY (PET) RADIOTRACERS FOR IMAGING MACROPHAGE COLONY-STIMULATING FACTOR 1 RECEPTOR (CSF1R) IN NEUROINFLAMMATION THE JOHNS HOPKINS UNIVERSITY 2021-09-23 US disclosed
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2021-01-07 US disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-20160122334-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-9296726-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-03-29 US disclosed
US-9266866-B2 Inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140243382-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-28 US disclosed
US-20140200245-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-07-17 US disclosed
US-8497376-B2 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-30 US disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20090105296-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105296-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US 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 (10 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-20140378457-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CHRNB2 2226/4885CHRNB4 2554/4885CHRNA3 1647/4885
US-20140200245-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CHRNB2 2226/4885CHRNB4 2554/4885CHRNA3 1647/4885
US-20160122334-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CHRNB2 2226/4885CHRNB4 2554/4885CHRNA3 1647/4885
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B CHRNB2 4862/4885CHRNB4 4880/4885CHRNA3 4860/4885
US-20150051196-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CHRNB2 2226/4885CHRNB4 2554/4885CHRNA3 1647/4885
US-20140243382-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CHRNB2 2226/4885CHRNB4 2554/4885CHRNA3 1647/4885
US-20210290784-A1 POSITRON EMISSION TOMOGRAPHY (PET) RADIOTRACERS FOR IMAGING MACROPHAGE COLONY-STIMULATING FACTOR 1 RECEPTOR (CSF1R) IN NEUROINFLAMMATION CSF1R, CSF3R, CMKLR1 CHRNB2 1110/4885CHRNB4 1452/4885CHRNA3 1538/4885
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B CHRNB2 4862/4885CHRNB4 4880/4885CHRNA3 4860/4885
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B CHRNB2 4862/4885CHRNB4 4880/4885CHRNA3 4860/4885
US-20090105296-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CHRNB2 2226/4885CHRNB4 2554/4885CHRNA3 1647/4885

“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.