SCHEMBL1504590

SCHEMBL1504590

Cc1ccc(NC(=O)NC2CC2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.65
▸ NPC1 O15118 7/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ EPHX2 P34913 2/20 0.60
▸ TSHR P16473 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ EPHX1 P07099 5/20 0.54
▸ GAA P10253 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 1/20 0.52
▸ PKM P14618 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47

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
SCHEMBL11320359 0.84 GNG2 (0.53) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL12284991 0.82 NPC1 (0.65) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL2751372 0.80 RAB9A (0.97) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL27795716 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL18735757 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL1504611 0.78 NAMPT (0.56) RAB9ANPC1SMN1; SMN2HTTGAA
SCHEMBL1504546 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL12407204 0.77 EPHX1 (0.84) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL21750955 0.77 EPHX1 (0.84) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL2855474 0.77 TDP1 (0.52) RAB9ANPC1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 — — US disclosed
EP-2155683-B8 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-09-21 — — EP disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 — — EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 — — US disclosed
EP-2155683-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS Astellas Pharma Inc. (JP) 2010-02-24 — — EP disclosed
WO-2008140066-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2008-11-20 — — 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 (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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 RAB9A 1797/4885NPC1 4090/4885SMN1; SMN2 4809/4885

“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.

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