SCHEMBL3462211

SCHEMBL3462211

CNC(=O)c1cc(-c2cccc(CN([C@H]3CCc4ccccc43)S(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cnc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MERTK Q12866 12/20 0.35
AXL P30530 11/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CFD P00746 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PPARG P37231 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
TAS2R14 Q9NYV8 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
SCHEMBL3460036 0.95 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMERTK
SCHEMBL3462486 0.78 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3462249 0.72 MERTK (0.46) MERTKAXLCFDPIK3C3
SCHEMBL3460143 0.65 PIK3C3 (0.56) MERTKAXLPIK3C3
SCHEMBL3462368 0.65 MERTK (0.43) MERTKAXLMAPK1PIK3C3
SCHEMBL3460453 0.64 MET (0.45) MERTKAXLMAPK1PIK3C3
SCHEMBL3461142 0.63 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3462510 0.61 MERTK (0.43) MERTKAXLMAPK1PIK3C3
SCHEMBL15677251 0.60 MEN1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3462136 0.60 TUBB4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1

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-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 PDE4A 631/4885PDE4B 888/4885PDE4C 734/4885

“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.