SCHEMBL2778635

SCHEMBL2778635

Clc1nccc(Oc2ccc3c(c2)CCN3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
APP P05067 1/20 0.38
PIK3CD O00329 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL2776702 0.85 HRH3 (0.41) DRD2DRD4HRH3APPS1PR1
SCHEMBL2777158 0.80 DRD2 (0.43) DRD2DRD4HRH3APPPIK3CD
SCHEMBL2777117 0.77 MEN1 (0.56) DRD2DRD4HRH3PIK3CDMAOA
SCHEMBL2776946 0.77 HRH3 (0.44) HRH3GAAHTTCA12CA1
SCHEMBL14553221 0.74 HRH3 (0.44) DRD2DRD4HRH3APPMAOA
SCHEMBL2777149 0.74 HRH3 (0.41) DRD2DRD4HRH3APPMAOA
SCHEMBL3183236 0.73 DRD2 (0.47) DRD2DRD4HRH3APPMAOA
SCHEMBL23143495 0.72 EIF2AK2 (0.62) MAOAMAOBS1PR1PLAAT3PLAAT5
SCHEMBL12972302 0.72 RAB9A (0.51) DRD2DRD4HRH3APP
SCHEMBL29899588 0.72 EIF2AK2 (0.62) MAOAMAOBS1PR1PLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF DRD2 3657/4885DRD4 4319/4885HRH3 526/4885

“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.