SCHEMBL3972319

SCHEMBL3972319

NCCCCCCC(N)c1nc(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 1/20 0.41
AURKA O14965 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ATM Q13315 2/20 0.37
DHODH Q02127 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
FERMT2 Q96AC1 1/20 0.37
DPP4 P27487 1/20 0.36
GHSR Q92847 1/20 0.35

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
SCHEMBL3972755 0.92 NPC1 (0.52) NPC1HTTRAB9AMAPK1EGFR
SCHEMBL3533587 0.84 TUBB4A (0.39) EGFR
SCHEMBL5917501 0.73 NPC1 (0.44) NPC1HTTRAB9AMAPK1EGFR
SCHEMBL3540947 0.72 TUBB4A (0.36)
SCHEMBL3540944 0.72 TUBB4A (0.36)
SCHEMBL3976375 0.71 HTT (0.54) NPC1HTTRAB9AMAPK1AURKA
SCHEMBL3972071 0.70 ADORA3 (0.51) NPC1HTTRAB9AMAPK1ADORA3
SCHEMBL4367045 0.69 FERMT2 (0.56) FERMT2
SCHEMBL402767 0.68 HTT (0.56) NPC1HTTRAB9AMAPK1AURKA
SCHEMBL30439291 0.68 HTT (0.56) NPC1HTTRAB9AMAPK1AURKA

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 NPC1 151/4885HTT 3181/4885RAB9A 2468/4885

“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.