SCHEMBL4445072

SCHEMBL4445072

CN(Cc1ccccc1)C1(C(N)=O)CN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
CA2 P00918 1/20 0.39
MAOA P21397 1/20 0.39
AOC3 Q16853 1/20 0.39
NAMPT P43490 1/20 0.39
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TPSAB1 Q15661 1/20 0.37

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
SCHEMBL13600126 0.87 NPC1 (0.41) NPC1RAB9ACA12CA9OPRM1
SCHEMBL4446810 0.83 JAK2 (0.48)
SCHEMBL6009644 0.83 RIPK1 (0.40) NPC1RAB9ACA12CA9OPRM1
SCHEMBL27645456 0.78 BACE1 (0.37) NPC1RAB9ACA12CA9OPRM1
SCHEMBL4446952 0.76 CTSS (0.41) NPC1RAB9ACA12CA9OPRM1
SCHEMBL15111158 0.73 OPRM1 (0.51) NPC1RAB9ACA12CA9OPRM1
SCHEMBL13600170 0.70 NPC1 (0.43) NPC1RAB9ACA12CA9OPRM1
Tert-Butyl Formate SCHEMBL27645457 0.70 RIPK1 (0.41) NPC1RAB9ACA12CA9MAOA
SCHEMBL27805826 0.68 OPRM1 (0.45) NPC1RAB9ACA12CA9OPRM1
Urea SCHEMBL28073648 0.67 ALDH1A1 (0.74) NPC1RAB9ACA12CA9AOC3

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-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 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-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 NPC1 3357/4885RAB9A 732/4885CA12 4806/4885

“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.