SCHEMBL3284976

SCHEMBL3284976

COc1cc(N)c(C(N)=O)cc1OCCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CYP2D6 P10635 3/20 0.50
TSHR P16473 2/20 0.50
CYP2C9 P11712 1/20 0.50
HTR1A P08908 4/20 0.48
HRH3 Q9Y5N1 1/20 0.47
AXL P30530 1/20 0.46
HDAC1 Q13547 1/20 0.46
HTR4 Q13639 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR3A P46098 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL5502433 1.00 LMNA (0.55) LMNAKDM4ETDP1KEAP1NFE2L2
SCHEMBL362445 0.91 LMNA (0.55) LMNAKDM4ETDP1KEAP1NFE2L2
SCHEMBL3471214 0.90 LMNA (0.56) LMNAKDM4ETDP1KEAP1NFE2L2
SCHEMBL3711173 0.90 LMNA (0.56) LMNAKDM4ETDP1KEAP1NFE2L2
SCHEMBL2926517 0.90 HTR4 (0.56) CYP2D6HTR1AHTR4ALDH1A1MEN1
Hydrochloric Acid SCHEMBL2925147 0.88 HTR4 (0.57) CYP2D6HTR1AHTR4ALDH1A1MEN1
SCHEMBL6442660 0.87 LMNA (0.51) LMNAKDM4ETDP1KEAP1NFE2L2
SCHEMBL3534600 0.87 LMNA (0.51) LMNAKDM4ETDP1KEAP1NFE2L2
SCHEMBL5499989 0.84 KDM4E (0.57) LMNAKDM4ETDP1KEAP1NFE2L2
SCHEMBL6532154 0.84 KDM4E (0.57) LMNAKDM4ETDP1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705145-B2 Process for the preparation of 4-(3′-chloro-4′-fluoroanilino) -7-methoxy-6-(3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2010-04-27 US claimed
EP-1546119-B1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2009-08-19 EP claimed
US-20060003999-A1 Process for the preparation of 4-(3'-chloro-4'-fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2006-01-05 US claimed
EP-1546119-A1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE AstraZeneca AB (SE) 2005-06-29 EP claimed
WO-2004024703-A1 PROCESS FOR THE PREPARATION OF 4- (3’-CHLORO-4’-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2004-03-25 WO claimed
WO-2021212536-A1 METHOD FOR PREPARING 4-(3-CHLORO-4-FLUOROANILINE)-6-ACETOXY-7-METHOXY QUINAZOLINE HYDROCHLORIDE 江苏天士力帝益药业有限公司 (CN) 2021-10-28 WO disclosed
US-11091470-B2 Process for the preparation of N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholinopropoxy) quinazolin-4-amine dihydrochloride NATCO PHARMA LIMITED (IN) 2021-08-17 US disclosed
CN-110747489-B Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof 湖南大学 2021-05-07 CN disclosed
US-20200331899-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3- MORPHOLINOPROPOXY) QUINAZOLIN -4-AMINE DIHYDROCHLORIDE NATCO PHARMA LIMITED (IN) 2020-10-22 US disclosed
CN-110747489-A Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof 湖南大学 2020-02-04 CN disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-7705145-B2 Process for the preparation of 4-(3′-chloro-4′-fluoroanilino) -7-methoxy-6-(3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2010-04-27 US disclosed
EP-1546119-B1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2009-08-19 EP disclosed
EP-1546119-B1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2009-08-19 EP disclosed
US-20060003999-A1 Process for the preparation of 4-(3'-chloro-4'-fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2006-01-05 US disclosed
WO-2005070909-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GEFITINIB NATCO PHARMA LIMITED (IN) 2005-08-04 WO disclosed
EP-1546119-A1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE AstraZeneca AB (SE) 2005-06-29 EP disclosed
US-20050037445-A1 Oncology drug innovation POULSEN, HANS SKOVGAARD (DK) 2005-02-17 US disclosed
WO-2004024703-A1 PROCESS FOR THE PREPARATION OF 4- (3’-CHLORO-4’-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2004-03-25 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-11091470-B2 Process for the preparation of N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholinopropoxy) quinazolin-4-amine dihydrochloride MAP7, NQO2, ABL1 LMNA 732/4885KDM4E 756/4885TDP1 3649/4885
US-20060003999-A1 Process for the preparation of 4-(3'-chloro-4'-fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline CYP3A7, CYP3A5, CYP4B1 LMNA 2749/4885KDM4E 339/4885TDP1 2438/4885
US-20200331899-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3- MORPHOLINOPROPOXY) QUINAZOLIN -4-AMINE DIHYDROCHLORIDE PAH, NQO2, MAP7 LMNA 750/4885KDM4E 591/4885TDP1 3884/4885

“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.