SCHEMBL5106909

SCHEMBL5106909

CN(C(=O)OC(C)(C)C)c1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.44
▸ PTK2 Q05397 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ KDR P35968 6/20 0.38
▸ BRAF P15056 4/20 0.38
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ FGFR3 P22607 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34

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
SCHEMBL5138960 0.93 RAF1 (0.42) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5105278 0.90 PTK2B (0.41) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5105956 0.89 PTK2 (0.40) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5108237 0.89 PTK2 (0.40) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5119150 0.88 PTK2 (0.40) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5109860 0.88 PTK2B (0.39) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5110943 0.87 PTK2B (0.39) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5112032 0.86 KDR (0.45) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5118992 0.86 PTK2 (0.39) RAF1PTK2PTK2BKDRBRAF
SCHEMBL5110253 0.83 PTK2 (0.42) PTK2PTK2BKDRBRAFAURKA

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 RAF1 1479/4885PTK2 3377/4885PTK2B 2304/4885

“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