SCHEMBL4581771

SCHEMBL4581771

NC(=O)C(N)c1ccc(-n2cnnn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
NOTUM Q6P988 3/20 0.58
KCNJ1 P48048 3/20 0.57
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 2/20 0.50
F2 P00734 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL4581611 0.82 TP53 (0.53) ALDH1A1NOTUMKMT2AKDM4EMEN1
SCHEMBL3328195 0.78 KCNJ1 (0.71) ALDH1A1NOTUMKCNJ1MAPTPOLB
SCHEMBL24308192 0.78 ALDH1A1 (0.77) ALDH1A1NOTUMKCNJ1MAPTPOLB
SCHEMBL12615985 0.76 NOTUM (0.78) ALDH1A1NOTUMKCNJ1MAPTPOLB
SCHEMBL10287707 0.76 ALDH1A1 (0.69) ALDH1A1NOTUMKCNJ1MAPTPOLB
SCHEMBL4581778 0.76 ALDH1A1 (0.59) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL4580901 0.76 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL1072252 0.74 KCNJ1 (0.71) ALDH1A1NOTUMKCNJ1MAPTPOLB
SCHEMBL10022325 0.74 NOTUM (1.00) ALDH1A1NOTUMKCNJ1MAPTPOLB
SCHEMBL334399 0.73 KCNJ1 (1.00) ALDH1A1NOTUMKCNJ1MAPTF2

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 10 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
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB ALDH1A1 2190/4885NOTUM 3734/4885KCNJ1 2236/4885

“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.