SCHEMBL12985206

SCHEMBL12985206

O=C(O)Cn1cc(C2CC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
CYP19A1 P11511 2/20 0.48
IDO1 P14902 1/20 0.40
HTT P42858 2/20 0.38
NTRK1 P04629 8/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL25217051 0.92 CYP19A1 (0.58) EPHX2CYP19A1HTTHRH4HRH3
SCHEMBL12985578 0.85 SMYD3 (0.50) EPHX2CYP19A1IDO1NTRK1HRH4
SCHEMBL21653424 0.82 EPHX2 (0.39) EPHX2CYP19A1IDO1HTTNTRK1
SCHEMBL26947314 0.79 CYP19A1 (0.55) CYP19A1IDO1NTRK1HRH4HRH3
SCHEMBL31695215 0.79 ACACB (0.46)
SCHEMBL13172338 0.79 MAPK1 (0.43) CYP19A1IDO1GAA
SCHEMBL26941019 0.74 CYP19A1 (0.50) CYP19A1IDO1NTRK1HRH4HRH3
SCHEMBL28759020 0.73 CYP4F2 (0.43) HTTGAA
SCHEMBL12984289 0.72 NPC1 (0.50) EPHX2HTTNTRK1GAA
SCHEMBL879385 0.72 ICMT (0.40) CYP19A1IDO1HRH4HRH3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110546147-B Phenoxyquinazoline compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-05-23 CN disclosed
EP-3615526-B1 PHENOXYQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2021-08-04 EP disclosed
US-11053223-B2 Phenoxyquinazoline compounds and their use in treating cancer ASTRAZENECA AB (SE) 2021-07-06 US disclosed
US-20200223828-A1 PHENOXYQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA UK LIMITED (GB) 2020-07-16 US disclosed
EP-3615526-A1 PHENOXYQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca (SE) 2020-03-04 EP disclosed
CN-110546147-A Phenoxyquinazoline compounds and their use in the treatment of cancer ASTRAZENECA AB 2019-12-06 CN disclosed
WO-2018197643-A1 PHENOXYQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-11-01 WO disclosed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP disclosed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP disclosed
US-9163021-B2 Pyrrolo[3,2-c]pyridine tropomyosin-related kinase inhibitors PFIZER LIMITED (GB) 2015-10-20 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
WO-2014053967-A1 PYRROLO[2,3-D]PYRIMIDINE TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-04-10 WO disclosed
WO-2014053968-A1 PYRROLO[3,2-C]PYRIDINE TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-04-10 WO disclosed
EP-2694509-A1 PYRROLO [2, 3 -D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES Pfizer Limited (GB) 2014-02-12 EP disclosed
CN-103534257-A Pyrrolo [2, 3 -d] pyrimidine derivatives as inhibitors of tropomyosin- related kinases PFIZER 2014-01-22 CN disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US 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-11053223-B2 Phenoxyquinazoline compounds and their use in treating cancer KIT, ABL1, RB1 EPHX2 2918/4885CYP19A1 315/4885IDO1 2840/4885
US-20200223828-A1 PHENOXYQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER KIT, ABL1, RB1 EPHX2 2918/4885CYP19A1 315/4885IDO1 2840/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK EPHX2 4546/4885CYP19A1 3762/4885IDO1 2504/4885

“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.