SCHEMBL3280339

SCHEMBL3280339

COc1cc([N+](=O)[O-])c(C#N)cc1OCCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAP2K1 Q02750 5/20 0.51
SRC P12931 9/20 0.49
TSHR P16473 1/20 0.49
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
CHEK1 O14757 1/20 0.48
RAF1 P04049 1/20 0.47
MAPK3 P27361 1/20 0.47
MAPK1 P28482 1/20 0.47
FYN P06241 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL14421398 1.00 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL5025184 0.89 SRC (0.50) CYP2D6CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL17921471 0.89 CYP1A2 (0.58) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL27958219 0.89 CYP2D6 (0.66) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL5139995 0.84 SRC (0.46) CYP2D6KDM4ENPC1ALDH1A1RAB9A
SCHEMBL6508978 0.82 ALDH1A1 (0.57) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL4317372 0.82 ALDH1A1 (0.57) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL21199087 0.82 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL30946649 0.82 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL2163402 0.81 MAP2K1 (0.55) CYP2D6MAP2K1SRCTSHRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098592-A1 PREPARATION METHOD FOR CARBON-LOADED IRON-BASED CATALYST AND USE THEREOF IN SYNTHESIS OF INTERMEDIATES OF ANTI-CANCER INHIBITORS 奥锐特药业股份有限公司 2023-06-08 WO claimed
CN-114315595-A Preparation method of carbon-supported iron-based catalyst and synthesis application of anti-cancer inhibitor intermediate thereof 湖南大学 2022-04-12 CN claimed
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
CN-120703269-A Method for determining positional isomer of 4-methoxy-5- (3-morpholinopropoxy) -2-nitrobenzonitrile 山东鲁抗医药股份有限公司 2025-09-26 CN disclosed
CN-120703269-A Method for determining positional isomer of 4-methoxy-5- (3-morpholinopropoxy) -2-nitrobenzonitrile 山东鲁抗医药股份有限公司 2025-09-26 CN disclosed
CN-114315595-B Preparation method of carbon-supported iron-based catalyst and application of intermediate synthesis of anticancer inhibitor of carbon-supported iron-based catalyst 奥锐特药业股份有限公司 2023-12-05 CN disclosed
CN-114920704-B Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2023-11-03 CN disclosed
CN-115108999-B Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2023-11-03 CN disclosed
WO-2023098592-A1 PREPARATION METHOD FOR CARBON-LOADED IRON-BASED CATALYST AND USE THEREOF IN SYNTHESIS OF INTERMEDIATES OF ANTI-CANCER INHIBITORS 奥锐特药业股份有限公司 2023-06-08 WO disclosed
CN-1681796-A Process for preparing 4- (3 '-chloro-4' -fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
WO-2005068433-A9 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-09-15 WO 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
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
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
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 (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-20060003999-A1 Process for the preparation of 4-(3'-chloro-4'-fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline CYP3A7, CYP3A5, CYP4B1 CYP2D6 16/4885CYP1A2 14/4885CYP2C19 23/4885

“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.