SCHEMBL3976985

SCHEMBL3976985

N#Cc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
KCNMA1 Q12791 3/20 0.48
TP53 P04637 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GRIK1 P39086 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL400049 0.86 KCNMA1 (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4342270 0.76 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3979251 0.76 GRIK1 (0.56) MAPTMEN1KMT2AKCNMA1TP53
SCHEMBL11796705 0.75 GPR35 (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL418777 0.75 GRIK1 (0.62) MAPTMEN1KMT2AALDH1A1KCNMA1
SCHEMBL13102688 0.74 KCNMA1 (0.60) MAPTMEN1KMT2AALDH1A1KCNMA1
SCHEMBL23486625 0.74 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL405736 0.74 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4196298 0.73 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1315497 0.73 MEN1 (0.51) MAPTMEN1KMT2AKCNMA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 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
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP 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 (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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 MAPT 4410/4885MEN1 3915/4885KMT2A 4812/4885

“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.