SCHEMBL2383548

SCHEMBL2383548

CC1CN(c2nsnc2Cl)CC(C)N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
AURKA O14965 1/20 0.32
PTPN11 Q06124 3/20 0.32
CHRM1 P11229 1/20 0.31
PRKCI P41743 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL14391506 0.75 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL2385053 0.71 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14HTT
SCHEMBL8806823 0.67 LIPA (0.45) LMNAKMT2A
SCHEMBL1101642 0.67 KMT2A (0.55) MAPK13MAPK12MAPK11MAPK14HTT
SCHEMBL1101644 0.67 KMT2A (0.55) MAPK13MAPK12MAPK11MAPK14HTT
SCHEMBL12302917 0.65 HTR1A (0.32) TRPV1KMT2A
SCHEMBL3210143 0.65 HSD11B1 (0.51) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13489654 0.65 HSD11B1 (0.51) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3401669 0.64 PTPN11 (0.47) MAPK13MAPK12MAPK11MAPK14HTT
SCHEMBL3401673 0.64 PTPN11 (0.47) MAPK13MAPK12MAPK11MAPK14HTT

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 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
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 WO 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 4108/4885MAPK13 445/4885MAPK12 178/4885

“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.