SCHEMBL3166509

SCHEMBL3166509

O=C(Nc1ccc(CN2CCCCC2)c(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.51
▸ SRC P12931 2/20 0.50
▸ RET P07949 3/20 0.49
▸ KDR P35968 2/20 0.49
▸ ABL1 P00519 3/20 0.48
▸ CCNC P24863 2/20 0.48
▸ CDK8 P49336 2/20 0.48
▸ BRAF P15056 3/20 0.48
▸ MKNK2 Q9HBH9 3/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.47
▸ BCR P11274 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ EGFR P00533 1/20 0.46

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
SCHEMBL4929396 0.96 KIT (0.52) KITSRCRETKDRABL1
SCHEMBL3182950 0.88 RET (0.63) KITSRCRETKDRABL1
SCHEMBL4933270 0.88 KIT (0.65) KITSRCRETABL1CDK8
SCHEMBL2777943 0.87 KIT (0.57) KITSRCRETKDRABL1
SCHEMBL28756487 0.86 MKNK2 (0.51) KITSRCRETKDRABL1
SCHEMBL20922005 0.86 KDM4E (0.56) KITSRCRETKDRABL1
SCHEMBL4939914 0.86 KIT (0.52) KITSRCRETKDRABL1
SCHEMBL4929391 0.86 KIT (0.53) KITSRCRETKDRABL1
SCHEMBL4937157 0.85 KIT (0.52) KITSRCRETKDRABL1
SCHEMBL27724845 0.82 MKNK2 (0.52) KITSRCRETKDRABL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1656073-B Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases NOVARTIS AG 2010-05-26 — — CN disclosed
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 — — US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 — — EP disclosed
EP-1511730-B1 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2008-12-10 — — EP disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 — — US disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 — — EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 — — WO 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-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA KIT 1747/4885SRC 849/4885RET 568/4885

“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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