SCHEMBL4446952

SCHEMBL4446952

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
NAMPT P43490 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
CTSL P07711 1/20 0.39
KMT2A Q03164 2/20 0.38
CTSB P07858 1/20 0.38
HSD11B1 P28845 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL4447061 0.84 JAK2 (0.47) CTSSCTSLCTSB
SCHEMBL13600125 0.82 OPRM1 (0.43) CTSSCTSKOPRM1OPRL1ALDH1A1
SCHEMBL3241413 0.77 OPRM1 (0.50) CTSSCTSKOPRM1OPRL1ALDH1A1
SCHEMBL27875481 0.76 OPRM1 (0.49) OPRM1OPRL1ALDH1A1NAAA
SCHEMBL4445072 0.76 NPC1 (0.41) NAMPTNPC1RAB9ACA12CA9
SCHEMBL4634691 0.75 CTSS (0.41) CTSSCTSKNAMPTCA12CA9
SCHEMBL24738201 0.75 OPRM1 (0.44) NPC1RAB9ACA12CA9OPRM1
SCHEMBL5674633 0.73 OPRM1 (0.57) OPRM1OPRL1KMT2AALDH1A1
SCHEMBL4447045 0.70 JAK2 (0.44) CTSSCTSLCTSB
SCHEMBL9260990 0.69 OPRM1 (0.42) OPRM1OPRL1ALDH1A1NAAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
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 CTSS 3079/4885CTSK 1447/4885NAMPT 1847/4885

“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.