SCHEMBL557622

SCHEMBL557622

COc1ccc(CC(=O)Nc2cc3cc(OC)ccc3cn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.70
MAPK10 P53779 2/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RIOK2 Q9BVS4 3/20 0.59
GSK3A P49840 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ABL1 P00519 1/20 0.57
WNT3A P56704 2/20 0.57
POLB P06746 1/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
CDK5 Q00535 3/20 0.53
CDK5R1 Q15078 3/20 0.53
CSNK1D P48730 1/20 0.53
GSK3B P49841 4/20 0.52

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
SCHEMBL559364 0.85 MAPK8 (0.70) MAPK8MAPK10ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10165889 0.84 MAPK8 (0.72) MAPK8MAPK10ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL559231 0.83 MAPK8 (1.00) MAPK8GSK3BDYRK1AWNT1
SCHEMBL12361577 0.82 MAPK8 (0.67) MAPK8MAPK10ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22607135 0.78 MEN1 (0.68) MAPK10ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL31240699 0.76 MAPK10 (0.75) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL29083803 0.76 MAPK10 (0.75) MAPK8MAPK10ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12303086 0.75 WNT3A (0.83) MAPK8MAPK10ALDH1A1RIOK2GSK3A
SCHEMBL559695 0.74 MAPK8 (0.58) MAPK8WNT3AGSK3BDYRK1AWNT1
SCHEMBL4710453 0.74 SMN1; SMN2 (0.69) MAPK8MAPK10ALDH1A1SMN1; SMN2L3MBTL1

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
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885MAPK10 32/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885MAPK10 32/4885ALDH1A1 1098/4885

“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.