SCHEMBL3183236

SCHEMBL3183236

c1cc(Oc2ccc3c(c2)CCN3)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
APP P05067 1/20 0.39
LCK P06239 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LTA4H P09960 1/20 0.36
KIF11 P52732 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TGM2 P21980 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
EIF2AK2 P19525 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL3183202 0.90 HRH3 (0.48) DRD2DRD4HRH3LCKCA12
SCHEMBL4715922 0.85 DRD2 (0.49) DRD2DRD4HRH3APPLTA4H
SCHEMBL14619655 0.83 DRD2 (0.47) DRD2DRD4HRH3APPTGM2
SCHEMBL14553221 0.81 HRH3 (0.44) DRD2DRD4HRH3APPMAOA
SCHEMBL6072869 0.76 HRH3 (0.43) DRD2DRD4HRH3LCK
SCHEMBL565913 0.75 DRD2 (0.53) DRD2DRD4HRH3APP
SCHEMBL13549027 0.75 ALDH1A1 (0.42) DRD2DRD4HRH3APPKDM4E
SCHEMBL21635492 0.74 EIF2AK2 (0.47) DRD2DRD4HRH3APPMAOA
Hydrochloric Acid SCHEMBL2208190 0.74 DRD2 (0.52) DRD2DRD4HRH3APP
SCHEMBL4525557 0.74 PDE3B (0.56) DRD2DRD4KIF11KDM4EMAPT

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 DRD2 4788/4885DRD4 4868/4885HRH3 2223/4885

“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.