SCHEMBL3535166

SCHEMBL3535166

Cc1ncc2ccccc2[n+]1[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GPR3 P46089 1/20 0.32
PDPK1 O15530 1/20 0.32
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL17072223 0.78 CYP1A2 (0.42) ATMCYP1A2CYP2A6KDM4EGPR3
SCHEMBL8424490 0.76 ATM (0.48) ATMCYP1A2CYP2A6NPC1RAB9A
SCHEMBL5259264 0.76 ATM (0.48) ATMCYP1A2CYP2A6NPC1RAB9A
SCHEMBL4620642 0.76 ATM (0.48) ATMCYP1A2CYP2A6NPC1RAB9A
SCHEMBL4559941 0.76 ATM (0.48) ATMCYP1A2CYP2A6NPC1RAB9A
SCHEMBL8423013 0.76 ATM (0.44) ATMCYP1A2CYP2A6NPC1RAB9A
SCHEMBL3540325 0.74 NOS1 (0.33) ATMCYP1A2CYP2A6RAB9AHTT
SCHEMBL5250885 0.73 ATM (0.45) ATMCYP1A2CYP2A6NPC1RAB9A
SCHEMBL9769252 0.73 ATM (0.45) ATMCYP1A2CYP2A6NPC1RAB9A
SCHEMBL6081734 0.72 ATM (0.44) ATMNPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680272-B2 3-arylethynyl substituted quinazolinone compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-03-25 US disclosed
US-20130317221-A1 3-ARYLETHYNYL SUBSTITUTED QUINAZOLINONE COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-11-28 US disclosed
WO-2012111017-A1 3-ARYLETHYNYL SUBSTITUTED QUINAZOLINONE COMPOUNDS CONCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO disclosed
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
CN-1474816-A 4-amino-quinazolines Ĭ��ר���ɷ����޹�˾ 2004-02-11 CN 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 (3 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 ATM 4247/4885CYP1A2 1069/4885CYP2A6 2973/4885
US-20130317221-A1 3-ARYLETHYNYL SUBSTITUTED QUINAZOLINONE COMPOUNDS NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 ATM 1754/4885CYP1A2 90/4885CYP2A6 283/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 ATM 3669/4885CYP1A2 1179/4885CYP2A6 3229/4885

“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.