SCHEMBL2385053

SCHEMBL2385053

CC1CN(c2nccnc2Cl)CC(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
AURKA O14965 1/20 0.37
PTPN11 Q06124 4/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCI P41743 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
SCN9A Q15858 1/20 0.33
HDAC1 Q13547 1/20 0.32
MALT1 Q9UDY8 1/20 0.32

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
SCHEMBL3884627 0.81 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL3882295 0.81 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL3882291 0.81 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL19205730 0.79 KDM4E (0.46) HTTLMNAKMT2A
SCHEMBL13489654 0.78 HSD11B1 (0.51) MAPK13MAPK12MAPK11MAPK14PTPN11
SCHEMBL30417113 0.78 HSD11B1 (0.51) MAPK13MAPK12MAPK11MAPK14PTPN11
SCHEMBL3210143 0.78 HSD11B1 (0.51) MAPK13MAPK12MAPK11MAPK14PTPN11
SCHEMBL2383548 0.71 TRPV1 (0.40) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL3401673 0.70 PTPN11 (0.47) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL1101644 0.70 KMT2A (0.55) MAPK13MAPK12MAPK11MAPK14AURKA

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 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
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 MAPK13 445/4885MAPK12 178/4885MAPK11 726/4885

“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.