SCHEMBL2829217

SCHEMBL2829217

CC(C)(C)C(=O)Nc1c(C(=O)c2ccc(F)cc2Cl)ccnc1-c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ RORB Q92753 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL2076784 0.94 MAPK14 (0.42) EGFRKDRMAPK14MAPK13MAPK12
SCHEMBL2825730 0.93 MAPK13 (0.38) EGFRKDRMAPK14MAPK13MAPK12
SCHEMBL2828600 0.88 RORB (0.44) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2832374 0.84 RORB (0.41) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL4078010 0.84 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL2079338 0.83 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11CNR2
SCHEMBL1642008 0.78 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL2826952 0.76 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL13321787 0.75 CCNT1 (0.35) EGFRKDRCNR2KMT2AMEN1
SCHEMBL1643694 0.73 HPGD (0.40) MAPK14MAPK13MAPK12MAPK11CNR2

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 5 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
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 — — EP disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 — — US disclosed
EP-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 — — EP disclosed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 — — 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-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 EGFR 1264/4885KDR 1697/4885MAPK14 17/4885

“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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