SCHEMBL5106187

SCHEMBL5106187

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.46
▸ PTK2B Q14289 2/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ KDR P35968 7/20 0.43
▸ SRC P12931 5/20 0.43
▸ RET P07949 3/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ BRAF P15056 3/20 0.43
▸ NTRK1 P04629 3/20 0.43
▸ NTRK3 Q16288 3/20 0.43
▸ NTRK2 Q16620 3/20 0.43
▸ FLT1 P17948 3/20 0.43
▸ FLT4 P35916 3/20 0.43
▸ FLT3 P36888 3/20 0.43
▸ KIT P10721 3/20 0.43
▸ AURKA O14965 2/20 0.43
▸ RAF1 P04049 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ IRAK1 P51617 2/20 0.43

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
SCHEMBL5111452 0.92 ABL1 (0.44) ABL1PTK2BPTK2KDRSRC
SCHEMBL5118721 0.92 ABL1 (0.42) ABL1PTK2BPTK2KDRSRC
SCHEMBL5112023 0.90 ABL1 (0.42) ABL1PTK2BPTK2KDRSRC
SCHEMBL5109049 0.90 KDR (0.42) ABL1PTK2BPTK2KDRSRC
SCHEMBL5120326 0.90 ABL1 (0.42) ABL1PTK2BPTK2KDRSRC
SCHEMBL5109865 0.90 ABL1 (0.44) ABL1PTK2BPTK2KDRSRC
SCHEMBL5109858 0.90 ABL1 (0.44) ABL1PTK2BPTK2KDRSRC
SCHEMBL5105942 0.89 SRC (0.52) ABL1PTK2BKDRSRCRET
SCHEMBL5111462 0.88 ABL1 (0.43) ABL1PTK2BPTK2KDRSRC
SCHEMBL5109138 0.88 SRC (0.51) ABL1PTK2BKDRSRCRET

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 4 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
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 128/4885PTK2B 2304/4885PTK2 3377/4885

“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.

Send feedback