SCHEMBL201799

SCHEMBL201799

COc1ccc(C#N)cc1OC1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.52
AR P10275 3/20 0.44
MAP3K5 Q99683 1/20 0.44
PDE4A P27815 3/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
CYP11B2 P19099 1/20 0.43
TBK1 Q9UHD2 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
Hydrochloric Acid SCHEMBL202832 0.99 PDE4B (0.51) PDE4BARMAP3K5PDE4APDE4C
SCHEMBL4940189 0.88 PDE4A (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL4119970 0.86 SLC6A2 (0.48) PDE4BARSLC6A2SLC6A4SLC6A3
SCHEMBL4227931 0.84 SLC6A2 (0.43) MAP3K5TBK1SLC6A2SLC6A4SLC6A3
SCHEMBL2693669 0.83 HRH3 (0.61) PDE4BARCYP11B2
Hydrochloric Acid SCHEMBL70445 0.82 SLC6A2 (0.42) ARMAP3K5TBK1SLC6A2SLC6A4
SCHEMBL225826 0.81 SLC6A2 (0.49) MAP3K5SLC6A2SLC6A4SLC6A3
SCHEMBL12409078 0.80 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL1560104 0.80 PDE4B (0.45) PDE4BARPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL16818301 0.79 SLC6A2 (0.48) MAP3K5SLC6A2SLC6A4SLC6A3

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 26 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-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
EP-2421827-A2 PROCESS FOR THE PREPARATION OF 4-(3-CHLORO-2-FLUORO- ANILINO)-7-METHOXY-6- { [1-(N-METHYLCARBAMOYLMETHYL)- PIPERIDIN- 4-YL]OXY}QUINAZOLINE AstraZeneca AB (SE) 2012-02-29 EP disclosed
US-20120035363-A1 CRYSTALLINE 4-(3-CHLORO-2-FLUOROANILINO)-7 METHOXY-6-... ASTRAZENECA AB (SE) 2012-02-09 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 (3 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 PDE4B 1624/4885AR 4308/4885MAP3K5 327/4885
US-20120035363-A1 CRYSTALLINE 4-(3-CHLORO-2-FLUOROANILINO)-7 METHOXY-6-... CDK7, CCNC, CDC73 PDE4B 2719/4885AR 4316/4885MAP3K5 1454/4885
US-20120108814-A1 PROCESS 738 CYP2C8, CYP4F8, UGT1A8 PDE4B 1770/4885AR 4724/4885MAP3K5 249/4885

“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.