SCHEMBL201583

SCHEMBL201583

COc1ccc(C#N)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.64
PDE4B Q07343 11/20 0.60
PDE4D Q08499 5/20 0.58
PDE4A P27815 4/20 0.58
PDE4C Q08493 4/20 0.58
ALK Q9UM73 1/20 0.50
STS P08842 1/20 0.48

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
SCHEMBL223791 0.87 GPR119 (0.64) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL15375545 0.85 PDE4B (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL31583988 0.83 PDE4B (0.64) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL2277132 0.83 PDE4B (0.64) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL6486054 0.82 PDE4B (0.69) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL225375 0.82 GPR119 (0.91) GPR119ALK
SCHEMBL19839235 0.81 PDE4B (0.64) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL21886989 0.81 GPR119 (0.56) GPR119PDE4BALK
SCHEMBL1560104 0.80 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL3605978 0.80 GPR119 (0.69) GPR119ALK

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303276-B1 FUMARATE SALT OF 4-(3-CHLORO-2-FLUOROANILINO)-7-METHOXY-6-{[1-(N-METHYLCARBAMOYLMETHYL)PIPERIDIN-4-YL]OXY}QUINAZOLINE ASTRAZENECA AB (SE) 2013-11-13 EP disclosed
EP-2303276-B1 FUMARATE SALT OF 4-(3-CHLORO-2-FLUOROANILINO)-7-METHOXY-6-{[1-(N-METHYLCARBAMOYLMETHYL)PIPERIDIN-4-YL]OXY}QUINAZOLINE ASTRAZENECA AB (SE) 2013-11-13 EP disclosed
US-8450482-B2 Process for the preparation of 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-([1-(N-methylcarbamoymethyl)piperidin-4-yl]oxy)quinazoline ASTRAZENECA AB (SE) 2013-05-28 US disclosed
US-8450482-B2 Process for the preparation of 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-([1-(N-methylcarbamoymethyl)piperidin-4-yl]oxy)quinazoline ASTRAZENECA AB (SE) 2013-05-28 US disclosed
US-8450482-B2 Process for the preparation of 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-([1-(N-methylcarbamoymethyl)piperidin-4-yl]oxy)quinazoline ASTRAZENECA AB (SE) 2013-05-28 US disclosed
US-8404839-B2 Crystalline 4-(3-chloro-2-fluoroanilino)-7 methoxy-6-{[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy} quinazoline difumarate Form A ASTRAZENECA AB (GB) 2013-03-26 US disclosed
US-8404839-B2 Crystalline 4-(3-chloro-2-fluoroanilino)-7 methoxy-6-{[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy} quinazoline difumarate Form A ASTRAZENECA AB (GB) 2013-03-26 US disclosed
US-8404839-B2 Crystalline 4-(3-chloro-2-fluoroanilino)-7 methoxy-6-{[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy} quinazoline difumarate Form A ASTRAZENECA AB (GB) 2013-03-26 US disclosed
US-20120108814-A1 PROCESS 738 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20120108814-A1 PROCESS 738 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
WO-2010122340-A2 PROCESS 738 ASTRAZENECA AB (SE) 2010-10-28 WO disclosed
WO-2010061208-A2 THERAPEUTIC TREATMENT 555 ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
WO-2010061208-A2 THERAPEUTIC TREATMENT 555 ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
WO-2009138781-A1 FUMARATE SALT OF 4- (3-CHLORO-2-FLUOROANILINO) -7-METHOXY-6- { [1- (N-METHYLCARBAMOYLMETHYL) PIPERIDIN- 4-YL] OXY}QUINAZOLINE ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009138781-A1 FUMARATE SALT OF 4- (3-CHLORO-2-FLUOROANILINO) -7-METHOXY-6- { [1- (N-METHYLCARBAMOYLMETHYL) PIPERIDIN- 4-YL] OXY}QUINAZOLINE ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
US-20090286982-A1 NOVEL SALT-554 ASTRAZENECA AB (SE) 2009-11-19 US disclosed
US-20090286982-A1 NOVEL SALT-554 ASTRAZENECA AB (SE) 2009-11-19 US disclosed
US-20090286982-A1 NOVEL SALT-554 ASTRAZENECA AB (SE) 2009-11-19 US disclosed
WO-2009138779-A1 COMBINATION COMPRISING 4- (3-CHLORO-2-FLUOROANILINO) -7-METH0XY-6- { [1- (N-METHYLCARBAMOYLMETHYL) PIPERIDIN- 4-YL] OXYJQUINAZOLINE ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009138779-A1 COMBINATION COMPRISING 4- (3-CHLORO-2-FLUOROANILINO) -7-METH0XY-6- { [1- (N-METHYLCARBAMOYLMETHYL) PIPERIDIN- 4-YL] OXYJQUINAZOLINE ASTRAZENECA AB (SE) 2009-11-19 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 (2 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-20090286982-A1 NOVEL SALT-554 KRAS, NISCH, WASHC4 GPR119 4491/4885PDE4B 1624/4885PDE4D 2379/4885
US-20120108814-A1 PROCESS 738 CYP2C8, CYP4F8, UGT1A8 GPR119 4796/4885PDE4B 1770/4885PDE4D 1545/4885

“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.