SCHEMBL1640318

SCHEMBL1640318

CC(=O)c1c(-c2ccc(F)cc2)ncn1C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.58
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
GRIA1 P42261 1/20 0.41
USP30 Q70CQ3 1/20 0.40
MAPK14 Q16539 3/20 0.39
MMP13 P45452 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL12727176 0.92 TGFBR1 (0.51) TGFBR1HDAC1HDAC2GRIA1MAPK14
SCHEMBL7942534 0.89 MAPK14 (0.50) TGFBR1GRIA1MAPK14MMP13GPR119
SCHEMBL15823296 0.87 TGFBR1 (0.58) TGFBR1HDAC1HDAC2GRIA1USP30
SCHEMBL1640914 0.85 TGFBR1 (0.46) TGFBR1MAPK14MAPK13MAPK12MAPK11
Ammonia Solution, Strong SCHEMBL27870854 0.80 TGFBR1 (0.62) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1640844 0.79 MAPK14 (0.44) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1639802 0.79 MAPK14 (0.66) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1640811 0.78 GPR119 (0.53) USP30SRCGPR119
SCHEMBL15824383 0.77 MAPK14 (0.50) TGFBR1GRIA1MAPK14MMP13BTK
SCHEMBL15830851 0.77 MAPK14 (0.50) TGFBR1HDAC1HDAC2GRIA1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102686580-B imidazole derivatives as casein kinase inhibitors PFIZER 2014-09-10 CN disclosed
EP-2493876-B1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER (US) 2014-02-12 EP disclosed
EP-2493876-B1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER (US) 2014-02-12 EP disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
CN-102686580-A Imidazole derivatives as casein kinase inhibitors PFIZER 2012-09-19 CN disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 US disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 US disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 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 (1 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-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors CSNK1A1, CSNK1A1L, CSNK1G1 TGFBR1 3920/4885HDAC1 874/4885HDAC2 1094/4885

“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.