SCHEMBL5139495

SCHEMBL5139495

CCNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(OCCN3CCOCC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ RAF1 P04049 5/20 0.49
▸ KDR P35968 3/20 0.49
▸ EGFR P00533 2/20 0.49
▸ EPHX2 P34913 1/20 0.47
▸ HTR2A P28223 6/20 0.46
▸ HTR2C P28335 6/20 0.46

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
SCHEMBL5107344 0.93 BRAF (0.52) BRAFMAPK14RAF1KDREGFR
SCHEMBL5111641 0.88 BRAF (0.55) BRAFMAPK14RAF1KDREGFR
SCHEMBL5118843 0.85 HTR2A (0.45) BRAFMAPK14RAF1KDREGFR
SCHEMBL5139333 0.83 KDR (0.49) BRAFMAPK14RAF1KDR
SCHEMBL5113288 0.83 BRAF (0.57) BRAFMAPK14RAF1KDREGFR
SCHEMBL5110396 0.81 BRAF (0.46) BRAFMAPK14RAF1KDREGFR
SCHEMBL5118777 0.80 EPHX2 (0.50) BRAFMAPK14RAF1KDREPHX2
SCHEMBL5114066 0.80 BRAF (0.47) BRAFMAPK14RAF1KDREGFR
SCHEMBL5113819 0.80 SRC (0.50) BRAFMAPK14RAF1KDREGFR
SCHEMBL5111764 0.79 RAF1 (0.43) BRAFRAF1KDREGFRHTR2A

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-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 1165/4885RAF1 1479/4885

“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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