SCHEMBL3973374

SCHEMBL3973374

CCN(CC)c1nc(Nc2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
ADORA1 P30542 1/20 0.49
NPY5R Q15761 2/20 0.46
KDM1A O60341 2/20 0.46
ACP1 P24666 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 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
SCHEMBL27223378 0.80 NPY5R (0.51) TP53NPY5RKDM1AACP1L3MBTL1
SCHEMBL3973470 0.73 POLB (0.44) KDM1AACP1L3MBTL1KDM4ELMNA
SCHEMBL1084090 0.68 LMNA (0.61) TP53ACP1L3MBTL1MAPTMEN1
SCHEMBL27223383 0.67 NPY5R (0.80) NPY5RKDM1AMAPTALDH1A1SMN1; SMN2
SCHEMBL13796619 0.67 CTNNB1 (0.52) TP53NPY5RKDM1AMAPTALDH1A1
SCHEMBL15840693 0.66 ADORA1 (1.00) TP53ADORA1L3MBTL1MAPTALDH1A1
SCHEMBL21914642 0.66 MEN1 (0.59) TP53ADORA1L3MBTL1MAPTALDH1A1
SCHEMBL21915429 0.66 MEN1 (0.59) TP53ADORA1L3MBTL1MAPTALDH1A1
SCHEMBL23577187 0.65 GAA (0.50) ADORA1MAPT
SCHEMBL30961048 0.65 GAA (0.50) ADORA1MAPT

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 3 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

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 TP53 2851/4885ADORA1 693/4885NPY5R 882/4885

“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.