SCHEMBL306232

SCHEMBL306232

Brc1ccc(Cn2cncn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.67
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
UGT1A4 P22310 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL17159812 0.90 CYP19A1 (0.80) CYP19A1HDAC1HDAC6UGT1A4PDE4D
SCHEMBL15688800 0.84 CYP19A1 (0.71) CYP19A1HDAC1HDAC6
SCHEMBL3235365 0.82 CYP19A1 (0.69) CYP19A1HDAC1HDAC6
SCHEMBL11354103 0.82 CYP19A1 (0.69) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL4873932 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6UGT1A4PDE4D
SCHEMBL307542 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL3319920 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL3318872 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL309621 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6UGT1A4PDE4D
Hydrochloric Acid SCHEMBL11358575 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417859-B Synthesis method of rizatriptan benzoate 陕西师范大学 2024-02-02 CN claimed
CN-115417859-A Synthetic method of rizatriptan benzoate 陕西师范大学 2022-12-02 CN claimed
CN-115417859-B Synthesis method of rizatriptan benzoate 陕西师范大学 2024-02-02 CN disclosed
CN-115417859-B Synthesis method of rizatriptan benzoate 陕西师范大学 2024-02-02 CN disclosed
CN-115417859-A Synthetic method of rizatriptan benzoate 陕西师范大学 2022-12-02 CN disclosed
CN-115417859-A Synthetic method of rizatriptan benzoate 陕西师范大学 2022-12-02 CN disclosed
US-11439622-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-09-13 US disclosed
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2020-12-03 US disclosed
EP-3383858-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2018-10-10 EP disclosed
CN-108602795-A The inhibitor of metal-beta-lactamase 牛津大学科技创新有限公司 2018-09-28 CN disclosed
WO-2017093727-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-06-08 WO disclosed
CN-1529697-A Tricyclic compounds useful as angiotensin II agonists ά�ƶ�ҩ�﹫˾ 2004-09-15 CN disclosed
US-20040167176-A1 Tricyclic compounds useful as angiotensin II agonists VICORE PHARMA AB (SE) 2004-08-26 US disclosed
EP-0490816-B1 Fluoro-compounds and their use as aromatase inhibitors CIBA GEIGY AG (CH) 1997-07-09 EP disclosed
US-5637605-A ANTITUMOR AGENTS CIBA GEIGY CORPORATION (US) 1997-06-10 US disclosed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
US-5457209-A Antitumor agents CIBA-GEIGY CORPORATION (US) 1995-10-10 US disclosed
US-5376669-A Antitumor agents CIBA-GEIGY CORP. (US) 1994-12-27 US disclosed
US-5227393-A estrogen-dependent diseases, anticancer CIBA-GEIGY CORPORATION (US) 1993-07-13 US disclosed
EP-0490816-A2 Fluoro-compounds CIBA-GEIGY AG (CH) 1992-06-17 EP 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-20040167176-A1 Tricyclic compounds useful as angiotensin II agonists AGTR1, AGTR2, NPY2R CYP19A1 2703/4885HDAC1 1098/4885HDAC6 1678/4885
US-11439622-B2 Inhibitors of metallo-beta-lactamases IDO1, MGAM, LCT CYP19A1 1014/4885HDAC1 1152/4885HDAC6 956/4885
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES IDO1, MGAM, LCT CYP19A1 1014/4885HDAC1 1152/4885HDAC6 956/4885

“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.