SCHEMBL2385076

SCHEMBL2385076

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PI4KB Q9UBF8 1/20 0.46
KIT P10721 6/20 0.44
TRPV1 Q8NER1 4/20 0.43
LIMK2 P53671 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RY12 Q9H244 1/20 0.42

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
SCHEMBL12302347 0.90 NPSR1 (0.45) HSD17B10NPSR1PI4KBKITTRPV1
SCHEMBL2381414 0.90 TRPV1 (0.54) HSD17B10NPSR1KITTRPV1KDM4E
SCHEMBL2384052 0.90 LIMK2 (0.54) HSD17B10KITLIMK2KDM4ELMNA
SCHEMBL2383066 0.89 TRPV1 (0.52) HSD17B10NPSR1PI4KBTRPV1LIMK2
SCHEMBL2719147 0.88 PDGFRB (0.46) HSD17B10NPSR1KITLIMK2
SCHEMBL2384849 0.88 PI4KB (0.46) HSD17B10NPSR1PI4KBKITTRPV1
SCHEMBL2385769 0.87 PDGFRB (0.44) HSD17B10NPSR1PI4KBKITTRPV1
SCHEMBL2383895 0.87 TRPV1 (0.52) HSD17B10NPSR1PI4KBTRPV1LIMK2
SCHEMBL2384692 0.87 PDGFRB (0.52) NPSR1TRPV1MAPK1SMN1; SMN2P2RY12
SCHEMBL2717511 0.87 PI4KB (0.53) HSD17B10NPSR1PI4KBTRPV1LIMK2

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-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-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 HSD17B10 3740/4885NPSR1 3854/4885PI4KB 213/4885

“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.