SCHEMBL2386385

SCHEMBL2386385

Nc1nccc(COc2cccnc2N2CCN(C(=O)Nc3cccc(C4CC4)c3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ PI4KB Q9UBF8 2/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ TRPV1 Q8NER1 7/20 0.40
▸ BTK Q06187 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ KIT P10721 1/20 0.39

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
SCHEMBL2715837 0.97 BTK (0.42) NPSR1HSD17B10PI4KBLIMK2TRPV1
SCHEMBL2384692 0.88 PDGFRB (0.52) NPSR1TRPV1PDGFRB
SCHEMBL2383895 0.88 TRPV1 (0.52) NPSR1HSD17B10PI4KBLIMK2TRPV1
SCHEMBL2717511 0.88 PI4KB (0.53) NPSR1HSD17B10PI4KBLIMK2TRPV1
SCHEMBL2383066 0.88 TRPV1 (0.52) NPSR1HSD17B10PI4KBLIMK2TRPV1
SCHEMBL2383318 0.87 GAA (0.51) PI4KBTRPV1PDGFRB
SCHEMBL2384052 0.87 LIMK2 (0.54) HSD17B10LIMK2PDGFRBKIT
SCHEMBL12302347 0.86 NPSR1 (0.45) NPSR1HSD17B10PI4KBLIMK2TRPV1
SCHEMBL2385769 0.86 PDGFRB (0.44) NPSR1HSD17B10PI4KBLIMK2TRPV1
SCHEMBL2381414 0.85 TRPV1 (0.54) NPSR1HSD17B10TRPV1KIT

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 NPSR1 3854/4885HSD17B10 3740/4885PRKCI 226/4885

“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.

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