SCHEMBL3533753

SCHEMBL3533753

CCc1ccc(-c2cc[c]cc2CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 1/20 0.34
UCHL1 P09936 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CA2 P00918 1/20 0.33
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 2/20 0.33
METAP2 P50579 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
GALR1 P47211 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MGLL Q99685 2/20 0.32
PLK1 P53350 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL5685480 0.83 DPP4 (0.39) ALDH1A1KMT2ATP53
SCHEMBL8074245 0.80 TAAR1 (0.35) EGFRCYP2A6UCHL1S1PR1S1PR5
SCHEMBL3536418 0.80 BCL2 (0.43) ALDH1A1NOTUMNISCHMGLLFFAR4
SCHEMBL8089559 0.77 TUBB1 (0.37) EGFRCYP2A6S1PR1S1PR5
SCHEMBL27707567 0.76 TAAR1 (0.35) EGFRCYP2A6UCHL1S1PR1S1PR5
SCHEMBL27707579 0.76 MAOB (0.35) EGFRCYP2A6UCHL1S1PR1S1PR5
SCHEMBL8088891 0.76 ALDH1A1 (0.35) CYP2A6ALDH1A1S1PR1S1PR5KMT2A
SCHEMBL27606557 0.74 HRH3 (0.46) CYP2A6TAAR1
SCHEMBL1483731 0.74 ALDH1A1 (0.42) EGFRCYP2A6ALDH1A1
SCHEMBL533382 0.73 CYP2A6 (0.44) EGFRCYP2A6ALDH1A1UCHL1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 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
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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 (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 EGFR 1117/4885CYP2A6 2973/4885ALDH1A1 1661/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 EGFR 4031/4885CYP2A6 2576/4885ALDH1A1 1459/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 EGFR 1086/4885CYP2A6 3229/4885ALDH1A1 1858/4885

“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.