SCHEMBL4581778

SCHEMBL4581778

COc1ccc(C(N)C(N)=O)cc1-n1cnnn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.53
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL4580901 0.90 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRLMNAHPGD
SCHEMBL4581771 0.76 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAHPGDKDM4E
SCHEMBL11214410 0.75 ACHE (0.61) ALDH1A1KMT2ATSHRHPGDMAPK1
Hydrochloric Acid SCHEMBL28549845 0.74 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRLMNAHPGD
SCHEMBL4581611 0.74 TP53 (0.53) ALDH1A1KMT2ALMNATP53KDM4E
SCHEMBL4204127 0.72 ALDH1A1 (0.67) ALDH1A1KMT2ATSHRLMNAHPGD
SCHEMBL28542901 0.69 ALDH1A1 (0.65) ALDH1A1KMT2ATSHRLMNAHPGD
SCHEMBL2721346 0.68 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRLMNAHPGD
SCHEMBL12970651 0.68 RXFP1 (0.56) ALDH1A1KMT2ATSHRHPGDTP53
SCHEMBL6425207 0.68 KMT2A (0.52) ALDH1A1KMT2ATSHRHPGDTP53

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
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
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 2190/4885KMT2A 1897/4885TSHR 4140/4885

“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.