SCHEMBL4268087

SCHEMBL4268087

CC1COCC(C)N1Cc1ccc(C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
GAA P10253 1/20 0.43
OPRK1 P41145 7/20 0.42
KCNH2 Q12809 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PARP10 Q53GL7 1/20 0.38
OPRM1 P35372 5/20 0.38
OPRD1 P41143 4/20 0.38
MTOR P42345 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
SCHEMBL1070645 0.86 KMT2A (0.46) GRM2GAAOPRK1MEN1KMT2A
SCHEMBL1013773 0.86 KMT2A (0.46) GRM2GAAOPRK1MEN1KMT2A
SCHEMBL1014488 0.86 KMT2A (0.46) GRM2GAAOPRK1MEN1KMT2A
SCHEMBL4268092 0.79 ALDH1A1 (0.49) GRM2MTOR
SCHEMBL1013735 0.78 MLYCD (0.40) GRM2OPRK1KMT2AHDAC1HDAC6
SCHEMBL1013734 0.78 MLYCD (0.40) GRM2OPRK1KMT2AHDAC1HDAC6
SCHEMBL1014953 0.78 MLYCD (0.40) GRM2OPRK1KMT2AHDAC1HDAC6
SCHEMBL171824 0.77 KMT2A (0.43) OPRK1MEN1KMT2A
SCHEMBL1070454 0.75 PARP10 (0.36) GRM2GAAMEN1KMT2APARP10
SCHEMBL4108849 0.75 CHRM2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS CONNOLLY PETER J 2008-12-04 US disclosed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 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-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 GRM2 2630/4885GAA 2069/4885OPRK1 1375/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 GRM2 3466/4885GAA 679/4885OPRK1 551/4885
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 GRM2 2630/4885GAA 2069/4885OPRK1 1375/4885

“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.