SCHEMBL2383066

SCHEMBL2383066

Nc1nccc(COc2cccnc2N2CCN(C(=O)Nc3cccc(F)c3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.52
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FAAH O00519 2/20 0.44
PDGFRB P09619 2/20 0.43
MET P08581 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
LIMK2 P53671 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL2383256 0.91 TRPV1 (0.49) TRPV1PDGFRB
SCHEMBL12302347 0.90 NPSR1 (0.45) TRPV1NPSR1HSD17B10PDGFRBPI4KB
SCHEMBL2717511 0.90 PI4KB (0.53) TRPV1MAPTNPSR1HSD17B10FAAH
SCHEMBL2384692 0.90 PDGFRB (0.52) TRPV1MAPTNPSR1FAAHPDGFRB
SCHEMBL2383895 0.90 TRPV1 (0.52) TRPV1NPSR1HSD17B10PDGFRBPI4KB
SCHEMBL2383318 0.89 GAA (0.51) TRPV1PDGFRBPI4KBALDH1A1
SCHEMBL2381414 0.89 TRPV1 (0.54) TRPV1MAPTNPSR1HSD17B10ALDH1A1
SCHEMBL2384052 0.89 LIMK2 (0.54) MAPTHSD17B10FAAHPDGFRBALDH1A1
SCHEMBL2382841 0.89 TRPV1 (0.53) TRPV1POLBMAPTNPSR1FAAH
SCHEMBL2385076 0.89 HSD17B10 (0.48) TRPV1NPSR1HSD17B10PI4KBLIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US claimed
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 TRPV1 4108/4885POLB 3691/4885MAPT 2716/4885

“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.