SCHEMBL14596140

SCHEMBL14596140

CN(C)CCCNc1nc(CN(C)C(=O)c2cccnc2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
RAD52 P43351 4/20 0.49
POLB P06746 3/20 0.48
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GBA1 P04062 5/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TSHR P16473 1/20 0.46
CLK4 Q9HAZ1 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
SCHEMBL14596135 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1KDM4EPKMRAD52
SCHEMBL14596136 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596095 0.85 ALDH1A1 (0.60) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596086 0.85 POLB (0.63) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596064 0.84 POLB (0.55) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596091 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596074 0.84 POLB (0.57) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596062 0.83 RAD52 (0.56) ALDH1A1MAPK1KDM4ERAD52POLB
SCHEMBL14596119 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596090 0.83 FLT3 (0.59) ALDH1A1MAPK1RAD52POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2089/4885KDM4E 2378/4885

“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.