SCHEMBL5113326

SCHEMBL5113326

CNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2cc(C(=O)N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.51
▸ ABL1 P00519 4/20 0.44
▸ SRC P12931 2/20 0.44
▸ PTK2 Q05397 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ KDR P35968 3/20 0.40
▸ EGFR P00533 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ NTRK1 P04629 2/20 0.39
▸ NTRK3 Q16288 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ IRAK1 P51617 1/20 0.39

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
SCHEMBL5114120 0.90 PTK2 (0.53) EPHX2ABL1SRCPTK2PTK2B
SCHEMBL5119123 0.88 ABL1 (0.52) ABL1SRCPTK2PTK2BKDR
SCHEMBL5106806 0.85 KDR (0.52) ABL1SRCKDREGFRFGFR1
SCHEMBL5108623 0.84 DDR1 (0.45) ABL1SRCPTK2PTK2BKDR
SCHEMBL5110049 0.83 KDR (0.43) ABL1SRCPTK2PTK2BKDR
SCHEMBL5118082 0.83 BRAF (0.42) EPHX2ABL1SRCKDRFGFR1
SCHEMBL5108460 0.82 PTK2 (0.48) ABL1SRCPTK2PTK2BKDR
SCHEMBL5106674 0.82 KDR (0.51) ABL1SRCKDRFGFR1BRAF
SCHEMBL5109839 0.81 ABL1 (0.45) ABL1SRCPTK2PTK2BKDR
SCHEMBL5121136 0.81 PTK2 (0.43) ABL1SRCPTK2PTK2BKDR

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 EPHX2 648/4885ABL1 128/4885SRC 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.

Send feedback