SCHEMBL5740253

SCHEMBL5740253

COc1cccc(CNC(=O)c2ccnc(-c3cccc(Cl)c3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.67
MMP13 P45452 2/20 0.64
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
ROCK1 Q13464 3/20 0.58
ROCK2 O75116 3/20 0.58
PRKACA P17612 2/20 0.58
PRKX P51817 2/20 0.58
PRKCQ Q04759 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
GRK5 P34947 1/20 0.58
MAPT P10636 3/20 0.56
KDM1A O60341 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 1/20 0.56

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
SCHEMBL5209384 0.80 MMP13 (0.72) AURKAMMP13LMNAHPGDROCK1
SCHEMBL5332068 0.80 MMP13 (1.00) AURKAMMP13LMNAHPGDROCK1
SCHEMBL31061610 0.80 MMP13 (1.00) AURKAMMP13LMNAHPGDROCK1
SCHEMBL9416645 0.80 MMP13 (0.94) AURKAMMP13LMNAHPGDROCK1
SCHEMBL14082327 0.79 ROCK1 (0.69) AURKAMMP13LMNAHPGDROCK1
SCHEMBL3037037 0.79 MMP13 (0.78) AURKAMMP13LMNAHPGDROCK1
SCHEMBL5332057 0.79 MMP13 (0.82) AURKAMMP13LMNAHPGDROCK1
SCHEMBL1568252 0.78 ROCK2 (0.86) AURKAMMP13LMNAHPGDROCK1
SCHEMBL3820733 0.77 ROCK2 (0.76) AURKAMMP13LMNAHPGDROCK1
SCHEMBL1767576 0.77 MMP13 (0.67) AURKAMMP13LMNAHPGDROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678149-A2 4-AMINO(AZA)QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2006-07-12 EP claimed
WO-2005042498-A2 4-AMINO (AZA) QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2005-05-12 WO claimed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 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-20060194805-A1 Capsaicin receptor agonists TRPV1, HCAR1, CNR1 AURKA 4834/4885MMP13 3450/4885LMNA 2830/4885

“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.