SCHEMBL14596142

SCHEMBL14596142

CN(C)CCCNc1nc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
RAD52 P43351 4/20 0.48
POLB P06746 3/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
FLT3 P36888 5/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TERT O14746 1/20 0.46
TOP2A P11388 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45

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
SCHEMBL14596367 0.90 ALDH1A1 (0.48) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596095 0.89 ALDH1A1 (0.60) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596135 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596086 0.88 POLB (0.63) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596216 0.87 MTOR (0.56) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596090 0.86 FLT3 (0.59) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596100 0.86 RAD52 (0.53) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596083 0.86 RAD52 (0.63) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14627705 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL14596094 0.85 TERT (0.51) 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 2089/4885RAD52 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.