SCHEMBL3182550

SCHEMBL3182550

COc1ccc(Nc2cc(Oc3ccc(N)cc3)ncn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
RAB9A P51151 4/20 0.59
NPC1 O15118 2/20 0.59
NR4A1 P22736 1/20 0.55
SCN9A Q15858 1/20 0.52
EGFR P00533 3/20 0.50
ERBB3 P21860 2/20 0.48
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
RAF1 P04049 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
TNNI3K Q59H18 1/20 0.46
CDK4 P11802 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL12664956 0.89 SCN9A (0.52) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL3260635 0.89 NPC1 (0.55) MEN1KMT2ARAB9ANPC1NR4A1
SCHEMBL4935146 0.87 MEN1 (0.64) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL14769593 0.86 SCN9A (0.56) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL1896051 0.86 MEN1 (0.55) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL1894703 0.86 SCN9A (0.49) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL3176569 0.83 SCN9A (0.46) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL3166433 0.81 NPC1 (0.60) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL4109259 0.81 MEN1 (0.66) MEN1KMT2ARAB9ANPC1NR4A1
SCHEMBL10187337 0.81 MEN1 (0.81) MEN1KMT2ARAB9ANPC1NR4A1

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-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-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 MEN1 3097/4885KMT2A 1452/4885RAB9A 1414/4885

“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.