SCHEMBL6842823

SCHEMBL6842823

CC(=O)Nc1cc(-c2nc(-c3cccc(Cl)c3)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.49
ABL1 P00519 1/20 0.44
PIK3C3 Q8NEB9 3/20 0.42
KMT2A Q03164 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
GSK3B P49841 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL6842853 0.90 MAPK14 (0.61) MAPK14PIK3C3KMT2AMAPK13MAPK12
SCHEMBL6845136 0.90 MAPK14 (0.49) MAPK14PIK3C3KMT2ANPC1POLB
SCHEMBL6842856 0.90 KDM4E (0.45) MAPK14PIK3C3MAPK13MAPK12MAPK11
SCHEMBL952377 0.90 MAPK14 (0.48) MAPK14PIK3C3MAPK13MAPK12MAPK11
SCHEMBL6842883 0.89 MAPK14 (0.49) MAPK14PIK3C3MAPK13MAPK12MAPK11
SCHEMBL6842818 0.88 MAPK14 (0.43) MAPK14ABL1PIK3C3GSK3B
SCHEMBL16938026 0.88 ADORA1 (0.53) MAPK14PIK3C3GSK3BNPC1RAB9A
SCHEMBL6842835 0.87 MAPK14 (0.51) MAPK14PIK3C3GSK3BSMN1; SMN2
SCHEMBL6842841 0.87 PIK3C3 (0.47) MAPK14PIK3C3MAPK13MAPK12MAPK11
SCHEMBL6842830 0.86 PIK3C3 (0.42) MAPK14PIK3C3KMT2AGSK3BKDM4E

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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 (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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 MAPK14 102/4885ABL1 168/4885PIK3C3 15/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885ABL1 196/4885PIK3C3 61/4885

“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.