SCHEMBL12317

SCHEMBL12317

COCCNCc1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
CHRM2 P08172 2/20 0.60
HTR2A P28223 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HTT P42858 2/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SCN8A Q9UQD0 1/20 0.43

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
SCHEMBL25753776 0.90 L3MBTL1 (0.54) L3MBTL1CHRM2HTR2ACA12CA1
SCHEMBL24514473 0.89 CHRM2 (0.53) L3MBTL1CHRM2HTR2ACA12CA1
SCHEMBL8252520 0.84 L3MBTL1 (0.64) L3MBTL1CHRM2HTTDRD4ALDH1A1
SCHEMBL4919923 0.83 CHRM2 (0.75) L3MBTL1CHRM2HTR2ACA12CA1
SCHEMBL2312495 0.82 CHRM2 (0.68) L3MBTL1CHRM2HTR2ACA12CA1
SCHEMBL2051245 0.82 L3MBTL1 (0.62) L3MBTL1CHRM2CA1CA2HTT
SCHEMBL11304095 0.82 L3MBTL1 (0.67) L3MBTL1CHRM2HTR2ACA12CA1
SCHEMBL1241301 0.82 L3MBTL1 (0.62) L3MBTL1CHRM2HTR2ACA12CA1
SCHEMBL6325754 0.82 L3MBTL1 (0.67) L3MBTL1CHRM2HTR2ACA12CA1
SCHEMBL9156034 0.82 L3MBTL1 (0.62) L3MBTL1CHRM2HTTDRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2010-06-24 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 L3MBTL1 2080/4885CHRM2 1139/4885HTR2A 1838/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 L3MBTL1 2080/4885CHRM2 1139/4885HTR2A 1838/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 L3MBTL1 1905/4885CHRM2 730/4885HTR2A 1658/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 L3MBTL1 4202/4885CHRM2 4864/4885HTR2A 2105/4885
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES RNMT, VEGFA, VHL L3MBTL1 575/4885CHRM2 3289/4885HTR2A 1737/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 L3MBTL1 2080/4885CHRM2 1139/4885HTR2A 1838/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF L3MBTL1 1073/4885CHRM2 4547/4885HTR2A 824/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF L3MBTL1 1956/4885CHRM2 3952/4885HTR2A 2224/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB L3MBTL1 329/4885CHRM2 680/4885HTR2A 4788/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 L3MBTL1 2080/4885CHRM2 1139/4885HTR2A 1838/4885

“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.