SCHEMBL2385067

SCHEMBL2385067

Nc1nccc(COc2ccccc2N2CCN(C(=O)Nc3cc(F)cc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
S1PR2 O95136 3/20 0.45
TRPV1 Q8NER1 8/20 0.44
PDGFRB P09619 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL2386092 0.95 TRPV1 (0.47) MAPTTRPV1PDGFRBNPSR1MAPK1
SCHEMBL2384340 0.90 MAPT (0.45) MAPTTRPV1PDGFRBNPSR1MAPK1
SCHEMBL2383828 0.90 TRPV1 (0.48) S1PR2TRPV1NPSR1
SCHEMBL2382841 0.88 TRPV1 (0.53) MAPTTRPV1NPSR1MAPK1L3MBTL1
SCHEMBL2383530 0.86 MAPT (0.45) MAPTTRPV1PDGFRBNPSR1MAPK1
SCHEMBL2385265 0.85 TRPV1 (0.45) MAPTS1PR2TRPV1NPSR1NR2E1
SCHEMBL2385620 0.85 MAPT (0.51) MAPTPDGFRBNPSR1MAPK1L3MBTL1
SCHEMBL2716701 0.85 TRPV1 (0.49) MAPTTRPV1PDGFRBNPSR1NR2E1
SCHEMBL2383625 0.85 TRPV1 (0.51) TRPV1NPSR1
SCHEMBL2385933 0.84 TRPV1 (0.42) MAPTS1PR2TRPV1NPSR1NR2E1

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 MAPT 2716/4885S1PR2 1136/4885TRPV1 4108/4885

“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.