SCHEMBL10133206

SCHEMBL10133206

O=C(NCc1ccccc1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.80
RORC P51449 2/20 0.80
ROCK1 Q13464 2/20 0.80
NPC1 O15118 5/20 0.68
RAB9A P51151 4/20 0.68
MAPT P10636 2/20 0.68
CA2 P00918 2/20 0.66
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA9 Q16790 1/20 0.66
POLB P06746 1/20 0.64
MAOB P27338 1/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PTPN1 P18031 1/20 0.64
NAMPT P43490 2/20 0.62

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
SCHEMBL13960179 0.92 ROCK2 (0.74) ROCK2RORCROCK1NPC1RAB9A
SCHEMBL4525925 0.89 ROCK2 (1.00) ROCK2RORCROCK1HTTNAMPT
SCHEMBL20961801 0.89 RORC (1.00) ROCK2RORCROCK1NPC1RAB9A
SCHEMBL2831462 0.89 NPC1 (0.77) ROCK2RORCROCK1NPC1RAB9A
SCHEMBL24093491 0.87 RORC (0.71) ROCK2RORCROCK1NPC1RAB9A
SCHEMBL4744610 0.86 NPC1 (0.69) ROCK2RORCROCK1NPC1RAB9A
SCHEMBL4743393 0.86 NPC1 (0.73) ROCK2RORCROCK1NPC1RAB9A
SCHEMBL22588922 0.86 NPC1 (0.68) ROCK2RORCROCK1NPC1RAB9A
SCHEMBL8177097 0.85 RAB9A (0.72) ROCK2ROCK1NPC1RAB9AMAPT
SCHEMBL5853157 0.85 NPC1 (0.88) ROCK2ROCK1NPC1RAB9AMAPT

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-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 ROCK2 377/4885RORC 3933/4885ROCK1 432/4885

“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.