SCHEMBL5569346

SCHEMBL5569346

Cc1cccc2c(Nc3ccc(I)cc3)ncnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
CCNA1 P78396 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
EGFR P00533 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.43
DAPK3 O43293 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL5569470 0.86 EGFR (0.58) NPC1RAB9AMAPK1POLBEGFR
SCHEMBL5568069 0.85 JAK2 (0.56) NPC1RAB9AMAPK1POLBEGFR
SCHEMBL5569113 0.85 EGFR (0.53) NPC1RAB9AMAPK1POLBEGFR
SCHEMBL5570053 0.85 HPGD (0.52) NPC1RAB9AMAPK1POLBEGFR
SCHEMBL5568284 0.84 KDM4E (0.53) NPC1RAB9AMAPK1POLBEGFR
SCHEMBL5569038 0.82 TRPV1 (0.57) RAB9AEGFRABCG2AURKBAURKA
SCHEMBL5564469 0.81 ABCG2 (0.55) NPC1RAB9APOLBEGFRSMN1; SMN2
SCHEMBL5564499 0.81 KDR (0.65) NPC1RAB9AMAPK1POLBEGFR
SCHEMBL5564578 0.79 MAPT (0.55) NPC1RAB9AEGFRSMN1; SMN2ERBB2
SCHEMBL5565322 0.79 AURKA (0.52) NPC1RAB9AEGFRSMN1; SMN2ERBB2

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 6 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-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 (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 CCNT1 3191/4885CCNA2 3624/4885CDK2 861/4885

“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.