SCHEMBL5110396

SCHEMBL5110396

CNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ KDR P35968 6/20 0.45
▸ EGFR P00533 3/20 0.45
▸ ABL1 P00519 2/20 0.44
▸ FGFR1 P11362 2/20 0.43
▸ EPHX2 P34913 9/20 0.42
▸ RET P07949 3/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ STK25 O00506 1/20 0.42
▸ CIT O14578 1/20 0.42
▸ MAP2K7 O14733 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ MUSK O15146 1/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ MAP3K13 O43283 1/20 0.42
▸ DAPK3 O43293 1/20 0.42

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
SCHEMBL5114066 0.96 BRAF (0.47) BRAFMAPK14KDREGFRABL1
SCHEMBL5106242 0.93 ABL1 (0.46) BRAFMAPK14KDREGFRABL1
SCHEMBL5110191 0.92 ABL1 (0.46) BRAFMAPK14KDREGFRABL1
SCHEMBL5113819 0.92 SRC (0.50) BRAFMAPK14KDREGFRABL1
SCHEMBL5108290 0.92 SRC (0.47) BRAFMAPK14KDREGFRABL1
SCHEMBL5110761 0.92 MKNK2 (0.51) BRAFMAPK14KDREGFRABL1
SCHEMBL5118830 0.91 ABL1 (0.44) BRAFMAPK14KDREGFRABL1
SCHEMBL5110291 0.91 BRAF (0.46) BRAFMAPK14KDREGFRABL1
SCHEMBL5107557 0.90 ABL1 (0.43) BRAFMAPK14KDREGFRABL1
SCHEMBL5108134 0.89 ABL1 (0.43) BRAFMAPK14KDREGFRABL1

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-8609656-B2 Heteroarylphenylurea derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-12-17 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
EP-1724258-A1 HETEROARYLPHENYLUREA DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 — — EP 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-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 BRAF 1735/4885MAPK14 1165/4885KDR 2440/4885

“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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