SCHEMBL4602302

SCHEMBL4602302

CN(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
KDM4E B2RXH2 5/20 0.69
HTT P42858 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
KMT2A Q03164 5/20 0.68
MEN1 O00255 3/20 0.68
TDP1 Q9NUW8 1/20 0.67
KCNH2 Q12809 1/20 0.63
TNKS2 Q9H2K2 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
ALPL P05186 1/20 0.59
ALPI P09923 1/20 0.59
LMNA P02545 6/20 0.58
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.57
PARP1 P09874 1/20 0.56

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
SCHEMBL18423170 0.86 KDM4E (0.67) ALDH1A1KDM4EHTTRXFP1KMT2A
SCHEMBL6794867 0.79 PARP1 (0.65) ALDH1A1KMT2AMEN1TNKS2SMN1; SMN2
SCHEMBL9178009 0.79 KMT2A (1.00) ALDH1A1KDM4EKMT2AMEN1TNKS2
SCHEMBL13363211 0.78 PDE9A (0.59) ALDH1A1KDM4EKMT2AMEN1TNKS2
SCHEMBL23749827 0.78 KMT2A (0.65) ALDH1A1KDM4EHTTRXFP1KMT2A
SCHEMBL30120622 0.78 KMT2A (0.65) ALDH1A1KDM4EHTTRXFP1KMT2A
SCHEMBL11288070 0.77 PDE10A (0.74) KMT2ATNKS2PARP1
SCHEMBL29764103 0.77 PDE10A (0.74) KMT2ATNKS2PARP1
SCHEMBL30176850 0.77 TNKS2 (1.00) ALDH1A1KDM4EKMT2AMEN1TNKS2
SCHEMBL3826724 0.77 TNKS2 (1.00) ALDH1A1KDM4EKMT2AMEN1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790474-B1 p53 modulators SCHERING CORPORATION (US) 2010-09-07 US disclosed
US-7790474-B1 p53 modulators SCHERING CORPORATION (US) 2010-09-07 US disclosed
CN-101263124-A Quinazoline derivatives useful in cancer treatment SCHERING CORP (US) 2008-09-10 CN disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 ALDH1A1 1994/4885KDM4E 2378/4885HTT 3377/4885

“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.