SCHEMBL4601807

SCHEMBL4601807

CNCc1nc(NCCCN(C)C)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
MAPK1 P28482 1/20 0.64
RAD52 P43351 5/20 0.60
TOP2A P11388 2/20 0.60
POLB P06746 5/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.59
SLC2A1 P11166 1/20 0.59
APOBEC3A P31941 1/20 0.59
RAB9A P51151 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
FLT3 P36888 9/20 0.56
RXFP1 Q9HBX9 1/20 0.56
TLR9 Q9NR96 1/20 0.52
SMARCA2 P51531 1/20 0.50

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
SCHEMBL14596040 0.87 ALDH1A1 (0.67) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL4601686 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL4603873 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL14595998 0.81 ALDH1A1 (0.57) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL14596000 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL30125367 0.80 POLB (0.70) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL8906802 0.80 POLB (0.70) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL14596003 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL14596026 0.79 ALDH1A1 (0.57) ALDH1A1MAPK1RAD52TOP2APOLB
SCHEMBL13159119 0.79 ALDH1A1 (0.57) ALDH1A1MAPK1RAD52TOP2APOLB

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-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
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 1994/4885MAPK1 2089/4885RAD52 954/4885

“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.