SCHEMBL4581611

SCHEMBL4581611

NC(=O)C(N)c1cccc(-n2cnnn2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 10/20 0.51
MEN1 O00255 5/20 0.48
NOTUM Q6P988 2/20 0.48
ALDH1A1 P00352 1/20 0.48
USP2 O75604 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL4581771 0.82 ALDH1A1 (0.61) LMNASMN1; SMN2KMT2AMEN1NOTUM
SCHEMBL29337463 0.81 NOTUM (0.53) TP53LMNASMN1; SMN2KMT2ANOTUM
SCHEMBL15826705 0.79 SMN1; SMN2 (0.54) TP53LMNASMN1; SMN2KMT2AMEN1
SCHEMBL17258103 0.79 TP53 (0.56) TP53LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4583569 0.79 TP53 (0.70) TP53LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7994431 0.77 NOTUM (0.65) TP53LMNASMN1; SMN2KMT2ANOTUM
SCHEMBL29675872 0.76 TP53 (0.55) TP53LMNASMN1; SMN2KMT2AMEN1
SCHEMBL21152328 0.76 NOTUM (0.72) TP53LMNASMN1; SMN2KMT2AMEN1
SCHEMBL31175292 0.74 SMN1; SMN2 (0.71) TP53LMNASMN1; SMN2KMT2AMEN1
SCHEMBL939911 0.74 SMN1; SMN2 (0.71) TP53LMNASMN1; SMN2KMT2AMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP claimed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US claimed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 EP disclosed
CN-101959516-B Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2013-05-08 CN disclosed
CN-101959516-A Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2011-01-26 CN disclosed
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB TP53 1271/4885LMNA 922/4885SMN1; SMN2 3206/4885

“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.