SCHEMBL5118843

SCHEMBL5118843

CNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(OCCN3CCN(C)CC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.45
▸ HTR2C P28335 4/20 0.45
▸ SRC P12931 6/20 0.43
▸ BRAF P15056 4/20 0.42
▸ RAF1 P04049 2/20 0.42
▸ MAPK14 Q16539 3/20 0.42
▸ KDR P35968 6/20 0.42
▸ EGFR P00533 5/20 0.42
▸ ABL1 P00519 5/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ STK25 O00506 1/20 0.41
▸ CIT O14578 1/20 0.41
▸ MAP2K7 O14733 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ GAK O14976 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ MUSK O15146 1/20 0.41

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
SCHEMBL5107344 0.93 BRAF (0.52) HTR2AHTR2CBRAFRAF1MAPK14
SCHEMBL5108290 0.88 SRC (0.47) SRCBRAFRAF1MAPK14KDR
SCHEMBL5111764 0.88 RAF1 (0.43) HTR2ASRCBRAFRAF1KDR
SCHEMBL5119586 0.87 SRC (0.56) SRCBRAFRAF1MAPK14KDR
SCHEMBL5118082 0.87 BRAF (0.42) HTR2AHTR2CSRCBRAFRAF1
SCHEMBL5109035 0.87 SRC (0.46) SRCBRAFRAF1MAPK14KDR
SCHEMBL5106714 0.86 PTK2 (0.41) HTR2AHTR2CSRCBRAFRAF1
SCHEMBL5107210 0.86 KDR (0.51) BRAFRAF1MAPK14KDRABL1
SCHEMBL5139495 0.85 BRAF (0.51) HTR2AHTR2CBRAFRAF1MAPK14
SCHEMBL5111470 0.85 ABL1 (0.43) HTR2ASRCBRAFRAF1KDR

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 HTR2A 971/4885HTR2C 380/4885SRC 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.

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