SCHEMBL5564516

SCHEMBL5564516

CC(=O)Nc1ccc(Nc2ncnc3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.78
RAB9A P51151 5/20 0.65
NPC1 O15118 3/20 0.65
POLB P06746 3/20 0.65
MAPK1 P28482 1/20 0.65
GAA P10253 1/20 0.65
EGFR P00533 3/20 0.65
DAPK3 O43293 1/20 0.65
MAP4K4 O95819 1/20 0.65
ABL1 P00519 1/20 0.65
ERBB2 P04626 1/20 0.65
PIM1 P11309 1/20 0.65
PRKACA P17612 1/20 0.65
LTK P29376 1/20 0.65
MAPK8 P45983 1/20 0.65
CSNK1A1 P48729 1/20 0.65
RPS6KA3 P51812 1/20 0.65
LIMK1 P53667 1/20 0.65
MAP2K1 Q02750 1/20 0.65
ACVR1 Q04771 1/20 0.65

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
SCHEMBL30715571 1.00 ABCG2 (0.78) ABCG2RAB9ANPC1POLBMAPK1
SCHEMBL6684756 0.86 RAB9A (0.67) ABCG2RAB9ANPC1POLBMAPK1
SCHEMBL27758517 0.85 EGFR (0.76) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL27758510 0.85 EGFR (0.76) ABCG2MAPK1EGFRERBB2KDR
Hydrochloric Acid SCHEMBL8810503 0.82 AURKB (0.66) ABCG2RAB9ANPC1POLBMAPK1
SCHEMBL26784631 0.82 AURKB (0.68) ABCG2RAB9ANPC1POLBMAPK1
SCHEMBL13621682 0.82 EGFR (0.76) ABCG2NPC1EGFRERBB2KDR
SCHEMBL5570080 0.82 KDM4E (0.67) ABCG2RAB9ANPC1POLBMAPK1
SCHEMBL13283267 0.81 EGFR (0.61) ABCG2EGFRKDRRXFP1
Hydrochloric Acid SCHEMBL8808339 0.81 AURKB (0.67) ABCG2RAB9ANPC1POLBMAPK1

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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US claimed
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT ABCG2 311/4885RAB9A 1956/4885NPC1 1138/4885

“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.