SCHEMBL5570074

SCHEMBL5570074

Nc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.55
CYP1A2 P05177 5/20 0.55
CYP1B1 Q16678 5/20 0.55
APP P05067 2/20 0.49
ABCG2 Q9UNQ0 7/20 0.47
BACE1 P56817 1/20 0.46
ADORA2A P29274 1/20 0.46
DCPS Q96C86 1/20 0.46
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL5477113 0.88 ABCG2 (0.59) CYP1A1CYP1A2CYP1B1APPABCG2
SCHEMBL29085617 0.82 METAP1 (0.48) ABCG2BACE1
SCHEMBL1395347 0.78 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1ABCG2ADORA2A
SCHEMBL29593101 0.78 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1ABCG2ADORA2A
Hydrochloric Acid SCHEMBL29281621 0.77 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1ABCG2ADORA2A
SCHEMBL13300265 0.76 APP (0.47) CYP1A1CYP1A2CYP1B1APPABCG2
SCHEMBL14529287 0.75 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1ABCG2ADORA2A
SCHEMBL2297357 0.75 CYP1A2 (0.58) CYP1A1CYP1A2CYP1B1APPABCG2
SCHEMBL28197250 0.74 CYP1A1 (0.71) CYP1A1CYP1A2CYP1B1ABCG2ADORA2A
SCHEMBL22988235 0.74 ADORA3 (0.51) CYP1A2ADORA2AKMT2A

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 CYP1A1 1843/4885CYP1A2 892/4885CYP1B1 1934/4885

“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.