SCHEMBL2386446

SCHEMBL2386446

CCc1ccc(F)c(NC(=O)N2CCN(c3nccnc3OCc3ccnc(N)n3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDGFRB P09619 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
P2RY12 Q9H244 3/20 0.38
KIT P10721 1/20 0.38
AOC3 Q16853 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
RBP4 P02753 2/20 0.37
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2385379 0.90 TRPV1 (0.38) ALDH1A1MAPTMAPK1NPSR1PDGFRB
SCHEMBL2384857 0.89 MEN1 (0.43) ALDH1A1MAPTMAPK1NPSR1PDGFRB
SCHEMBL4562325 0.88 TRPV1 (0.40) ALDH1A1MAPK1NPSR1PDGFRBTRPV1
SCHEMBL2385169 0.87 TRPV1 (0.43) MAPTMAPK1NPSR1TRPV1KIT
SCHEMBL2383316 0.86 P2RY12 (0.43) ALDH1A1MAPTNPSR1PDGFRBTRPV1
SCHEMBL2385658 0.86 RBP4 (0.40) ALDH1A1MAPTMAPK1NPSR1PDGFRB
SCHEMBL2385334 0.86 PDGFRB (0.42) ALDH1A1MAPTPDGFRBP2RY12KIT
SCHEMBL2384210 0.85 PI4KB (0.43) MAPTPDGFRBP2RY12KIT
SCHEMBL2385197 0.85 MAPT (0.49) ALDH1A1MAPTMAPK1NPSR1TRPV1
SCHEMBL2387051 0.84 P2RY12 (0.41) PDGFRBTRPV1P2RY12KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR ALDH1A1 3053/4885MAPT 2716/4885MAPK1 263/4885

“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.