SCHEMBL4447045

SCHEMBL4447045

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.44
JAK1 P23458 7/20 0.44
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
GPR119 Q8TDV5 4/20 0.39
STS P08842 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
AKT1 P31749 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
SCHEMBL4447061 0.86 JAK2 (0.47) JAK2JAK1CTSLCTSBCTSS
SCHEMBL5671931 0.83 OPRD1 (0.47) JAK2JAK1CTSLCTSBCTSS
SCHEMBL28597842 0.82 SMN1; SMN2 (0.43) JAK2JAK1GPR119STS
SCHEMBL850214 0.72 CTSK (0.37) JAK2JAK1GPR119
SCHEMBL26982022 0.72 ALDH1A1 (0.41) JAK2JAK1GPR119STS
SCHEMBL21083118 0.72 JAK1 (0.49) JAK2JAK1GPR119STS
SCHEMBL22989504 0.72 JAK1 (0.41) JAK2JAK1
SCHEMBL13607137 0.71 JAK2 (0.48) JAK2JAK1GPR119STSOPRD1
SCHEMBL4446810 0.71 JAK2 (0.48) JAK2JAK1GPR119STSOPRD1
SCHEMBL31437378 0.71 JAK2 (0.45) JAK2JAK1GPR119STSOPRD1

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 JAK2 839/4885JAK1 325/4885CTSL 1808/4885

“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.