SCHEMBL3975321

SCHEMBL3975321

Cc1ccc2nc(-c3ccc(Br)cc3)nc(NCCCN3CCCCC3C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.49
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
ACP1 P24666 1/20 0.46
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CXCR4 P61073 6/20 0.41
RAD52 P43351 1/20 0.41
LATS1 O95835 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
SCHEMBL3975320 0.90 SLC2A1 (0.49) SLC2A1KDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL3980630 0.86 KDM4E (0.52) SLC2A1KDM4EALDH1A1MAPT
SCHEMBL3979247 0.81 ALDH1A1 (0.54) SLC2A1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL3976459 0.79 MAPT (0.67) KDM4EHSD17B10ALDH1A1CYP3A4TSHR
SCHEMBL3973138 0.79 CAMK2D (0.49) KDM4EHSD17B10ALDH1A1ACP1MEN1
SCHEMBL3975873 0.79 ADORA1 (0.55) KDM4EHSD17B10ALDH1A1ACP1HPGD
SCHEMBL3975234 0.78 ACP1 (0.60) SLC2A1HSD17B10ALDH1A1ACP1MAPK1
SCHEMBL3971152 0.77 KDM4E (0.45) KDM4EHSD17B10ALDH1A1CYP3A4TSHR
SCHEMBL3974310 0.76 GBA1 (0.51) MEN1POLBKMT2ARAD52
SCHEMBL6668789 0.74 POLB (0.62) SLC2A1ALDH1A1ACP1MAPK1POLB

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 SLC2A1 1107/4885KDM4E 4808/4885HSD17B10 2643/4885

“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.