SCHEMBL3975873

SCHEMBL3975873

Cc1ccc2nc(-c3ccc(Br)cc3)nc(NCCCN3CCCC3=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.55
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.48
PGK1 P00558 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 5/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 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
SCHEMBL3974937 0.89 KDM4E (0.53) ADORA1ALDH1A1KDM4EHSD17B10HTT
SCHEMBL3980055 0.85 PGK1 (0.62) ADORA1ALDH1A1KDM4EHPGDHTT
SCHEMBL3979247 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL3976459 0.80 MAPT (0.67) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL3975321 0.79 SLC2A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL3975234 0.79 ACP1 (0.60) ALDH1A1HSD17B10MAPTKMT2APOLB
SCHEMBL7262661 0.78 PGK1 (0.61) ADORA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3973044 0.77 ADORA1 (0.56) ADORA1ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL3973138 0.76 CAMK2D (0.49) ALDH1A1KDM4EHSD17B10HTTLMNA
SCHEMBL6668789 0.74 POLB (0.62) ALDH1A1RXFP1KMT2APOLBACP1

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 ADORA1 693/4885ALDH1A1 1459/4885KDM4E 4808/4885

“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.