SCHEMBL5139574

SCHEMBL5139574

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.40
▸ KDR P35968 8/20 0.40
▸ SRC P12931 6/20 0.40
▸ BRAF P15056 5/20 0.40
▸ RET P07949 3/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ MAPK14 Q16539 3/20 0.40
▸ TNNI3K Q59H18 3/20 0.40
▸ PTK2B Q14289 2/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ AURKA O14965 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ NTRK1 P04629 2/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ FLT4 P35916 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ IRAK1 P51617 2/20 0.40
▸ NEK4 P51957 2/20 0.40
▸ MAP4K2 Q12851 2/20 0.40

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
SCHEMBL5118721 0.90 ABL1 (0.42) ABL1KDRSRCBRAFRET
SCHEMBL5109049 0.88 KDR (0.42) ABL1KDRSRCBRAFRET
SCHEMBL5106187 0.88 ABL1 (0.46) ABL1KDRSRCBRAFRET
SCHEMBL5106651 0.86 RET (0.42) ABL1KDRSRCBRAFRET
SCHEMBL5109051 0.85 ABL1 (0.40) ABL1KDRSRCBRAFRET
SCHEMBL5110591 0.85 ABL1 (0.40) ABL1KDRSRCBRAFRET
SCHEMBL5106692 0.84 ABL1 (0.41) ABL1KDRSRCBRAFRET
SCHEMBL5139616 0.84 SRC (0.44) ABL1KDRSRCBRAFRET
SCHEMBL5117856 0.84 ABL1 (0.41) ABL1KDRSRCBRAFRET
SCHEMBL5111452 0.84 ABL1 (0.44) ABL1KDRSRCBRAFRET

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 ABL1 128/4885KDR 2440/4885SRC 749/4885

“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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