SCHEMBL5118545

SCHEMBL5118545

CNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(OCCC3CCNCC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.43
▸ CTSK P43235 1/20 0.42
▸ NR3C1 P04150 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ ABL1 P00519 3/20 0.38
▸ KDR P35968 5/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ NTRK1 P04629 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
▸ PRKCD Q05655 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ STK3 Q13188 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
SCHEMBL5104150 0.93 KDR (0.42) CTSSCTSKNR3C1PTK2PTK2B
SCHEMBL5111764 0.86 RAF1 (0.43) PTK2PTK2BABL1KDRBRAF
SCHEMBL5111002 0.85 ABL1 (0.40) NR3C1PTK2PTK2BABL1KDR
SCHEMBL5106714 0.85 PTK2 (0.41) CTSSCTSKPTK2PTK2BABL1
SCHEMBL5111470 0.84 ABL1 (0.43) PTK2PTK2BABL1KDRBRAF
SCHEMBL5112195 0.84 PTK2 (0.41) CTSSCTSKPTK2PTK2BABL1
SCHEMBL5118843 0.84 HTR2A (0.45) PTK2BABL1KDRROCK2NTRK1
SCHEMBL5112066 0.84 CDK8 (0.41) PTK2PTK2BABL1KDRPLK4
SCHEMBL5107344 0.83 BRAF (0.52) KDRBRAF
SCHEMBL5112055 0.82 PTK2 (0.40) NR3C1PTK2PTK2BABL1KDR

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 CTSS 3261/4885CTSK 4223/4885NR3C1 325/4885

“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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