SCHEMBL10133044

SCHEMBL10133044

O=C(NCc1ccccc1)Nc1ccc(-c2ccccc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.58
ROCK1 Q13464 1/20 0.58
DGAT1 O75907 2/20 0.55
RORC P51449 1/20 0.55
WNT3A P56704 1/20 0.54
ATG4B Q9Y4P1 1/20 0.53
MAPK1 P28482 1/20 0.52
AURKB Q96GD4 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGDS O60760 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL23019453 0.86 MET (0.52) ROCK2ROCK1DGAT1MAPK1AURKB
SCHEMBL21426361 0.84 AURKB (0.74) MAPK1AURKB
SCHEMBL14507349 0.82 SMN1; SMN2 (0.62) ALDH1A1LMNAMEN1KMT2A
SCHEMBL31241108 0.82 RAB9A (0.60) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1269593 0.82 RAB9A (0.60) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL21286264 0.81 WNT3A (0.78) WNT3AMEN1KMT2A
SCHEMBL14302228 0.80 NAMPT (0.62) ROCK2ROCK1AURKBALDH1A1LMNA
SCHEMBL10133206 0.80 ROCK2 (0.80) ROCK2ROCK1RORCMEN1KMT2A
SCHEMBL4876684 0.79 DEGS1 (0.58) DGAT1WNT3AMEN1KMT2A
SCHEMBL10133030 0.79 TUBB4A (0.58) MAPK1AURKBALDH1A1

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 377/4885ROCK1 432/4885DGAT1 1433/4885

“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.