SCHEMBL5108459

SCHEMBL5108459

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ PTK2B Q14289 1/20 0.42
▸ SRC P12931 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ KDR P35968 3/20 0.40
▸ NTRK1 P04629 2/20 0.40
▸ NTRK3 Q16288 2/20 0.40
▸ NTRK2 Q16620 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ PLK4 O00444 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ NEK2 P51955 1/20 0.38
▸ NEK4 P51957 1/20 0.38

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
SCHEMBL5113008 0.95 ABL1 (0.42) ABL1PTK2PTK2BSRCKDR
SCHEMBL5113146 0.92 ABL1 (0.42) ABL1PTK2PTK2BSRCKDR
SCHEMBL5108707 0.91 PTK2 (0.41) ABL1PTK2PTK2BSRCKDR
SCHEMBL14191855 0.89 ABL1 (0.43) ABL1PTK2PTK2BSRCKDR
SCHEMBL5119497 0.87 BRAF (0.46) ABL1PTK2PTK2BSRCHRH3
SCHEMBL5112292 0.86 KDR (0.43) ABL1PTK2PTK2BSRCKDR
SCHEMBL5108623 0.86 DDR1 (0.45) ABL1PTK2PTK2BSRCKDR
SCHEMBL5114085 0.86 EGFR (0.44) ABL1PTK2PTK2BHRH3KDR
SCHEMBL5120083 0.86 ABL1 (0.44) ABL1PTK2PTK2BSRCATM
SCHEMBL5104143 0.85 PTK2 (0.43) ABL1PTK2PTK2BSRCKDR

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 128/4885PTK2 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.

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