SCHEMBL3667006

SCHEMBL3667006

Cc1ccc(C(CN)CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CHRNA7 P36544 1/20 0.42
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABBR2 O75899 7/20 0.39
GABBR1 Q9UBS5 7/20 0.39
LMNA P02545 3/20 0.39
CYP2C9 P11712 2/20 0.39
THRB P10828 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL19803213 0.88 ADRA2A (0.42) CYP1A2CYP2A6TAAR1CHRNA7ACHE
SCHEMBL31138112 0.86 CYP1A2 (0.41) CYP1A2CYP2A6TAAR1CHRNA7ACHE
SCHEMBL19446579 0.84 ESR1 (0.43) CYP1A2CYP2A6TAAR1CHRNA7GABBR2
SCHEMBL3647917 0.84 ACHE (0.39) CYP1A2CYP2A6TAAR1CHRNA7ACHE
SCHEMBL11084756 0.83 TAAR1 (0.37) CYP1A2CYP2A6TAAR1CHRNA7TDP1
SCHEMBL21974057 0.83 CYP1A2 (0.34) CYP1A2CYP2A6TAAR1CHRNA7GABBR2
SCHEMBL342251 0.81 GABBR2 (0.36) CYP1A2ACHEGABBR2GABBR1LMNA
SCHEMBL18386267 0.80 GABBR2 (0.70) CYP1A2ACHEGABBR2GABBR1LMNA
SCHEMBL14551410 0.80 RIPK1 (0.39) CYP1A2CYP2A6TAAR1CHRNA7GABBR2
SCHEMBL13940816 0.80 GABBR2 (0.70) CYP1A2ACHEGABBR2GABBR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296726-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-03-29 US disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-8895584-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-20140243382-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-28 US disclosed
US-8759347-B2 Inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130281475-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2013-10-24 US disclosed
US-8481564-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-07-09 US disclosed
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
US-20110195960-A1 INHIBITORS OF C-FMS KINASE ILLIG CARL R 2011-08-11 US disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-20070249593-A1 e.g. 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) 2007-10-25 US disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
US-7157398-B2 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2007-01-02 US disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
EP-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 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 (5 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-20130281475-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CYP1A2 3278/4885CYP2A6 3149/4885TAAR1 2721/4885
US-20070249593-A1 e.g. 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 MUSK, CHUK, PNCK CYP1A2 2365/4885CYP2A6 1662/4885TAAR1 1438/4885
US-20150051196-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CYP1A2 3278/4885CYP2A6 3149/4885TAAR1 2721/4885
US-20140243382-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CYP1A2 3278/4885CYP2A6 3149/4885TAAR1 2721/4885
US-20110195960-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CYP1A2 3278/4885CYP2A6 3149/4885TAAR1 2721/4885

“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.