SCHEMBL5111002

SCHEMBL5111002

CNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(CNCC3CCNCC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.40
▸ KDR P35968 5/20 0.40
▸ SRC P12931 5/20 0.40
▸ RET P07949 4/20 0.40
▸ CDK8 P49336 3/20 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
▸ STK3 Q13188 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ MELK Q14680 2/20 0.40
▸ NTRK3 Q16288 2/20 0.40
▸ NTRK2 Q16620 2/20 0.40
▸ MINK1 Q8N4C8 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
SCHEMBL5117856 0.93 ABL1 (0.41) ABL1KDRSRCRETCDK8
SCHEMBL5112066 0.91 CDK8 (0.41) ABL1KDRSRCRETCDK8
SCHEMBL5108240 0.87 ABL1 (0.50) ABL1KDRSRCRETCDK8
SCHEMBL5118721 0.86 ABL1 (0.42) ABL1KDRSRCRETCDK8
SCHEMBL5104150 0.86 KDR (0.42) ABL1KDRSRCRETROCK2
SCHEMBL5118545 0.85 CTSS (0.43) ABL1KDRSRCROCK2NTRK1
SCHEMBL5108208 0.85 ABL1 (0.40) ABL1KDRSRCRETCDK8
SCHEMBL5104182 0.85 CDK8 (0.42) ABL1KDRSRCRETCDK8
SCHEMBL5106187 0.84 ABL1 (0.46) ABL1KDRSRCRETCDK8
SCHEMBL5106651 0.84 RET (0.42) ABL1KDRSRCRETCDK8

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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