SCHEMBL13353942

SCHEMBL13353942

Cc1ccccc1-c1nccc(C(O)(CC=O)c2ccc(F)cc2F)c1NC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31

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
SCHEMBL4072017 0.89 ABL1 (0.36) ABL1GAAMAPK13MAPK12MAPK11
SCHEMBL2079067 0.86 ABL1 (0.34) ABL1GAAMAPK13MAPK12MAPK11
SCHEMBL13353994 0.79 CNR2 (0.33) KMT2ALMNAMAPTGSK3B
SCHEMBL2080175 0.77 DGAT2 (0.39) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2826952 0.76 MAPK14 (0.44) ABL1GAAMAPK13MAPK12MAPK11
SCHEMBL4070987 0.75 P2RY1 (0.33) ABL1P2RY1NR3C1HDAC3HDAC1
SCHEMBL2081557 0.71 CCNT1 (0.34) HTTMAPK13MAPK12MAPK11MAPK14
SCHEMBL2079338 0.66 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL13321786 0.66 CCNT1 (0.34) HTTLMNAMAPT
SCHEMBL13321787 0.65 CCNT1 (0.35) MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 — — US disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 — — 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-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 ABL1 195/4885GAA 2106/4885CYP3A4 1460/4885

“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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