Sugi Predict

Sugi Predict / Compounds / SCHEMBL829762

SCHEMBL829762

SCHEMBL829762

COc1cc2nc[nH]c(=O)c2cc1OCCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.57
▸ SRC P12931 9/20 0.55
▸ AURKA O14965 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ EGFR P00533 6/20 0.53
▸ KDR P35968 5/20 0.53
▸ AXL P30530 2/20 0.53
▸ MAP2K1 Q02750 1/20 0.51
▸ FLT4 P35916 2/20 0.51
▸ CIT O14578 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ EPHB6 O15197 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ RPS6KA4 O75676 1/20 0.51
▸ STK17B O94768 1/20 0.51
▸ STK10 O94804 1/20 0.51
▸ PRKD3 O94806 1/20 0.51

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
SCHEMBL29478513 1.00 KDM1A (0.57) KDM1ASRCAURKAKDM4EEGFR
SCHEMBL29478512 1.00 KDM1A (0.57) KDM1ASRCAURKAKDM4EEGFR
SCHEMBL1734721 1.00 KDM1A (0.57) KDM1ASRCAURKAKDM4EEGFR
Hydrochloric Acid SCHEMBL27988356 0.99 KDM1A (0.56) KDM1ASRCAURKAKDM4EEGFR
Hydrochloric Acid SCHEMBL4378504 0.99 KDM1A (0.56) KDM1ASRCAURKAKDM4EEGFR
SCHEMBL7209967 0.95 KDR (0.52) KDM1ASRCAURKAKDM4EEGFR
SCHEMBL6244778 0.93 KDM1A (0.51) KDM1ASRCAURKAKDM4EEGFR
SCHEMBL6244776 0.93 KDM1A (0.51) KDM1ASRCAURKAKDM4EEGFR
SCHEMBL4686452 0.90 EHMT2 (0.61) KDR
SCHEMBL4025116 0.89 EHMT2 (0.52) SRCEGFRKDRAXLMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098863-B Preparation method of gefitinib 重庆莱美隆宇药业有限公司 2020-04-10 — — 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-118146164-A Hydrazone-containing quinazoline derivative or pharmaceutically acceptable salt thereof, and preparation method and application thereof 沈阳工业大学 2024-06-07 — — CN disclosed
CN-117924251-A Gefitinib-linked triazole derivative and preparation method and application thereof 河南师范大学 2024-04-26 — — 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
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-115433135-A Gefitinib refining method 山东鲁抗医药股份有限公司 2022-12-06 — — CN disclosed
CN-115108999-A Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2022-09-27 — — CN disclosed
CN-114920704-A Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2022-08-19 — — CN disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 — — WO disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 — — US disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 — — WO disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 — — EP disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 — — EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 — — WO disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 — — 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 KDM1A 1353/4885SRC 3841/4885AURKA 1129/4885

“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.