SCHEMBL5565146

SCHEMBL5565146

Cc1ccc2ncnc(Nc3ccc(C(=O)c4ccccc4)cc3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
MAPK1 P28482 3/20 0.74
HTT P42858 2/20 0.74
HPGD P15428 3/20 0.68
ALDH1A1 P00352 3/20 0.68
MAPT P10636 2/20 0.65
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TTBK1 Q5TCY1 1/20 0.58
TTBK2 Q6IQ55 1/20 0.58
USP2 O75604 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL6663797 0.87 NCOA1 (0.82) KDM4EMAPK1HTTHPGDALDH1A1
SCHEMBL2101381 0.86 HTT (1.00) KDM4EMAPK1HTTHPGDALDH1A1
SCHEMBL5569158 0.84 ABCG2 (0.69) MAPK1HTTMAPTLMNASMN1; SMN2
SCHEMBL6668497 0.83 KDM4E (0.60) KDM4EMAPK1HTTHPGDALDH1A1
Hydrochloric Acid SCHEMBL8809726 0.83 ABCG2 (0.68) MAPK1HTTMAPTLMNASMN1; SMN2
SCHEMBL5570080 0.81 KDM4E (0.67) KDM4EMAPK1HTTHPGDALDH1A1
SCHEMBL18158156 0.81 AURKB (0.80) AURKAAURKBEGFRKDR
SCHEMBL7239048 0.81 FYN (0.85) FYNSRCEGFRERBB2
SCHEMBL7242579 0.81 EGFR (0.67) MAPK1ALDH1A1LMNATTBK1TTBK2
Hydrochloric Acid SCHEMBL8809205 0.80 AURKB (0.78) AURKAAURKBEGFRKDR

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-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
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 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 KDM4E 1004/4885MAPK1 1019/4885HTT 2700/4885

“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.