SCHEMBL3172396

SCHEMBL3172396

O=[N+]([O-])c1ccc(Oc2cc(Nc3ccc(O)cc3)ncn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.50
TTBK1 Q5TCY1 1/20 0.47
TTBK2 Q6IQ55 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
GUCY1B2 O75343 1/20 0.46
GUCY1A2 P33402 1/20 0.46
GUCY1A1 Q02108 1/20 0.46
GUCY1B1 Q02153 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL12664955 0.88 RAB9A (0.48) TTBK1TTBK2EGFRERBB2RAB9A
SCHEMBL3166433 0.88 NPC1 (0.60) TTBK1TTBK2EGFRRAB9ANPC1
SCHEMBL1894480 0.88 MEN1 (0.52) TTBK1TTBK2EGFRERBB2RAB9A
SCHEMBL3166827 0.87 EGFR (0.49) CRHBPCRHR2EGFRERBB2RAB9A
SCHEMBL1898323 0.85 RAB9A (0.46) TTBK1TTBK2EGFRERBB2RAB9A
SCHEMBL4395583 0.83 NPC1 (0.55) TTBK1TTBK2EGFRERBB2RAB9A
SCHEMBL3260635 0.83 NPC1 (0.55) TTBK1TTBK2EGFRRAB9ANPC1
SCHEMBL4345309 0.83 EGFR (0.47) TTBK1TTBK2EGFRERBB2RAB9A
SCHEMBL4062637 0.82 RAB9A (0.43) TTBK1TTBK2EGFRERBB2RAB9A
SCHEMBL12262450 0.81 ALDH1A1 (0.53) TTBK1TTBK2EGFRERBB2RAB9A

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
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

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 ALK 284/4885TTBK1 369/4885TTBK2 391/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA ALK 1739/4885TTBK1 414/4885TTBK2 446/4885

“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.