SCHEMBL2383249

SCHEMBL2383249

Nc1nccc(COc2nccnc2N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.55
LMNA P02545 4/20 0.51
MAPT P10636 4/20 0.51
KIT P10721 1/20 0.49
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 2/20 0.45
FGFR4 P22455 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GOT1 P17174 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK10 P53779 1/20 0.43

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
SCHEMBL2385038 0.93 TRPV1 (0.48) TRPV1MAPTKITNPSR1KDM4E
SCHEMBL2382924 0.90 TRPV1 (0.53) TRPV1LMNAMAPTKITHTT
SCHEMBL2381414 0.89 TRPV1 (0.54) TRPV1LMNAMAPTKITHTT
SCHEMBL2385265 0.89 TRPV1 (0.45) TRPV1MAPTKITNPSR1KDM4E
SCHEMBL2384448 0.89 TRPV1 (0.46) TRPV1LMNAMAPTKITNPSR1
SCHEMBL2384227 0.87 PI4KB (0.50) TRPV1LMNAMAPTHTTKDM4E
SCHEMBL2385169 0.86 TRPV1 (0.43) TRPV1MAPTKITNPSR1KDM4E
SCHEMBL2384210 0.86 PI4KB (0.43) LMNAMAPTKIT
SCHEMBL2381703 0.85 PANK3 (0.43) TRPV1KIT
SCHEMBL2385592 0.85 TRPV1 (0.55) TRPV1LMNAMAPTKITHTT

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 TRPV1 4108/4885LMNA 2968/4885MAPT 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.