SCHEMBL5564456

SCHEMBL5564456

Cc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.82
EGFR P00533 12/20 0.74
ERBB2 P04626 3/20 0.74
KDM4E B2RXH2 2/20 0.72
HTT P42858 2/20 0.72
ABCG2 Q9UNQ0 1/20 0.71
FBP1 P09467 1/20 0.66
MEN1 O00255 1/20 0.66
NPC1 O15118 1/20 0.66
PRNP P04156 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL4349199 0.90 MAPK1 (1.00) MAPK1EGFRERBB2KDM4EHTT
Hydrochloric Acid SCHEMBL6186081 0.89 MAPK1 (0.97) MAPK1EGFRERBB2KDM4EHTT
SCHEMBL8871863 0.89 EGFR (0.82) MAPK1EGFRERBB2KDM4EHTT
SCHEMBL5564480 0.86 MAPK1 (0.76) MAPK1EGFRERBB2KDM4EHTT
SCHEMBL15070939 0.85 EGFR (0.71) MAPK1EGFRERBB2KDM4EABCG2
SCHEMBL1417740 0.85 EGFR (1.00) MAPK1EGFRERBB2ABCG2FBP1
SCHEMBL31060998 0.85 EGFR (1.00) MAPK1EGFRERBB2ABCG2FBP1
SCHEMBL2101381 0.84 HTT (1.00) MAPK1EGFRERBB2KDM4EHTT
SCHEMBL3664557 0.84 EGFR (0.81) MAPK1EGFRERBB2ABCG2FBP1
SCHEMBL5569022 0.84 HTT (0.72) MAPK1EGFRERBB2KDM4EHTT

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 7 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
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP claimed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO claimed
US-20070258904-A1 Optical Imaging Contrast Agents KLAVENESS JO 2007-11-08 US disclosed
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US disclosed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP disclosed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO 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 (2 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-20070258904-A1 Optical Imaging Contrast Agents IQGAP1, AQP3, OLA1 MAPK1 1163/4885EGFR 157/4885ERBB2 1243/4885
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT MAPK1 1019/4885EGFR 1445/4885ERBB2 1351/4885

“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.