SCHEMBL5570080

SCHEMBL5570080

CC(=O)Nc1ccc(Nc2ncnc3ccc(C)cc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
HTT P42858 2/20 0.67
MAPK1 P28482 2/20 0.67
HPGD P15428 4/20 0.65
ALDH1A1 P00352 3/20 0.65
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
EGFR P00533 8/20 0.62
ABCG2 Q9UNQ0 1/20 0.58
ERBB2 P04626 2/20 0.56
KDR P35968 2/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL13621682 0.87 EGFR (0.76) KDM4EALDH1A1NCOA1NCOA3MAPT
SCHEMBL13283267 0.86 EGFR (0.61) EGFRABCG2KDRRXFP1
SCHEMBL13283264 0.86 EGFR (0.61) MAPTEGFRABCG2ERBB2KDR
SCHEMBL2100347 0.85 EGFR (0.77) HTTMAPK1EGFRABCG2ERBB2
SCHEMBL27758510 0.84 EGFR (0.76) KDM4EHTTMAPK1EGFRABCG2
SCHEMBL30715571 0.82 ABCG2 (0.78) KDM4EHTTMAPK1HPGDALDH1A1
SCHEMBL5564516 0.82 ABCG2 (0.78) KDM4EHTTMAPK1HPGDALDH1A1
SCHEMBL5564480 0.82 MAPK1 (0.76) KDM4EHTTMAPK1HPGDALDH1A1
SCHEMBL5565146 0.81 KDM4E (0.74) KDM4EHTTMAPK1HPGDALDH1A1
SCHEMBL5569927 0.81 KDM4E (0.74) KDM4EHTTMAPK1HPGDALDH1A1

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 KDM4E 1004/4885HTT 2700/4885MAPK1 1019/4885

“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.