SCHEMBL2385143

SCHEMBL2385143

Nc1cc(COc2nsnc2N2CCN(C(=O)Nc3cccc(SC(F)(F)F)c3)CC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRM1 P11229 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PI4KB Q9UBF8 1/20 0.37
DRD2 P14416 2/20 0.37
KIT P10721 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2385310 0.85 TRPV1 (0.44) TRPV1HSD17B10NPSR1KIT
SCHEMBL2385186 0.85 MEN1 (0.43) MEN1KMT2AHSD17B10PI4KBDRD2
Trifluoroacetic Acid SCHEMBL2384922 0.82 TRPV1 (0.42) TRPV1HSD17B10NPSR1KITMAPT
SCHEMBL2385110 0.80 MAPT (0.52) MEN1KMT2AHSD17B10MAPTMAPK1
SCHEMBL2385600 0.79 KMT2A (0.52) TRPV1MEN1KMT2AHSD17B10NPSR1
SCHEMBL2384560 0.78 TRPV1 (0.53) TRPV1MEN1KMT2AHSD17B10KIT
SCHEMBL5572898 0.78 ALDH1A1 (0.48) MEN1KMT2AHSD17B10NPSR1MAPT
SCHEMBL2385191 0.77 MAPT (0.48) TRPV1MEN1KMT2API4KBMAPT
SCHEMBL2382754 0.76 TRPV1 (0.45) TRPV1HSD17B10NPSR1MAPTLMNA
SCHEMBL2384936 0.76 TRPV1 (0.50) TRPV1MEN1KMT2AHSD17B10NPSR1

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 4108/4885MEN1 1132/4885KMT2A 682/4885

“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.