SCHEMBL3176569

SCHEMBL3176569

CC(C)(C)[Si](C)(C)Oc1ccc(Nc2cc(Oc3ccc(N)cc3)ncn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
KDR P35968 6/20 0.41
TNNI3K Q59H18 6/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BRAF P15056 4/20 0.40
MAPK14 Q16539 4/20 0.40
MAP2K7 O14733 2/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
ERBB3 P21860 1/20 0.37

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
SCHEMBL4062637 0.84 RAB9A (0.43) MEN1KMT2AABL1BCRKDR
SCHEMBL12664956 0.83 SCN9A (0.52) SCN9AMEN1KMT2AABL1BCR
SCHEMBL3182550 0.83 MEN1 (0.66) SCN9AMEN1KMT2AABL1BCR
SCHEMBL14769593 0.80 SCN9A (0.56) SCN9AMEN1KMT2AABL1BCR
SCHEMBL1896051 0.80 MEN1 (0.55) SCN9AMEN1KMT2AABL1BCR
SCHEMBL1894703 0.80 SCN9A (0.49) SCN9AMEN1KMT2AABL1BCR
SCHEMBL4933261 0.76 KDR (0.54) ABL1BCRKDRTNNI3KBRAF
SCHEMBL20506764 0.75 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9A
SCHEMBL3177337 0.74 KDR (0.58) KDRTNNI3KBRAFMAPK14MAP2K7
SCHEMBL4935146 0.74 MEN1 (0.64) MEN1KMT2AKDRTNNI3KNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 WO 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 (2 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA SCN9A 3339/4885MEN1 1829/4885KMT2A 1081/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA SCN9A 2305/4885MEN1 3097/4885KMT2A 1452/4885

“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.