SCHEMBL673377

SCHEMBL673377

O=C1NCc2ncccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ BIRC2 Q13490 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GSK3B P49841 5/20 0.38
▸ PDE3B Q13370 2/20 0.37
▸ PDE3A Q14432 2/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PLCG1 P19174 1/20 0.34

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
SCHEMBL2044013 0.79 — —
SCHEMBL29550002 0.74 AHR (0.48) GSK3BPDE3BPDE3ABRD4ALDH1A1
SCHEMBL659375 0.74 AHR (0.48) GSK3BPDE3BPDE3ABRD4ALDH1A1
SCHEMBL23272058 0.73 BIRC2 (0.40) CYP11B1CYP11B2CA12CA1CA2
SCHEMBL2233893 0.73 NPC1 (0.50) CYP11B1CYP11B2CYP1A2SMN1; SMN2GSK3B
SCHEMBL30493623 0.73 NPC1 (0.50) CYP11B1CYP11B2CYP1A2SMN1; SMN2GSK3B
SCHEMBL13629294 0.73 GAA (0.46) CYP1A2SMN1; SMN2GSK3BALDH1A1ALOX15
SCHEMBL674111 0.72 CYP11B1 (0.38) CYP11B1CYP11B2BIRC2PDE3BPDE3A
SCHEMBL3053419 0.70 MAPT (0.53) CYP11B1CYP11B2CYP1A2SMN1; SMN2GSK3B
SCHEMBL2066798 0.70 CYP11B1 (0.44) CYP11B1CYP11B2CYP1A2SMN1; SMN2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515947-A SHP2 inhibitor and composition and application thereof 贝达药业股份有限公司 2022-12-23 — — CN claimed
EP-0677516-A1 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1995-10-18 — — EP claimed
EP-0468187-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1992-01-29 — — EP claimed
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer INVENTIVA (FR) 2024-06-04 — — US disclosed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 — — CN disclosed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 — — EP disclosed
US-20220098203-A1 AZA-HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER LES LABORATOIRES SERVIER (FR) 2022-03-31 — — US disclosed
CN-113039182-A Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment 伊文蒂瓦公司 2021-06-25 — — CN disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 — — EP disclosed
EP-2885297-B1 TRISUBSTITUTED PYRIDO[3,2-D]PYRIMIDINES, THEIR PREPARATION PROCESS AND THEIR THERAPEUTICAL USES CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-10-11 — — EP disclosed
US-20150190504-A1 WOUND HEALING KINETIC CONCEPTS, INC. 2015-07-09 — — US disclosed
EP-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 — — EP disclosed
US-5521182-A ACETYLCHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 1996-05-28 — — US disclosed
US-5504088-A ACETYLCHOLINE ESTERASE INHIBITORS; ALZHEIMER'S DISEASE AND OTHER DISEASES CAUSED BY A LOW CONCENTRATION OF CHOLINE EISAI CO., LTD. (JP) 1996-04-02 — — US disclosed
EP-0677516-A1 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1995-10-18 — — EP disclosed
US-5292735-A Cyclic amide derivatives EISAI CO., LTD. (JP) 1994-03-08 — — US disclosed
EP-0219923-B1 ANTIBIOTIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 — — EP disclosed
EP-0468187-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1992-01-29 — — EP disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 — — US disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 — — 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-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 CYP11B1 1866/4885CYP11B2 2152/4885CA12 4740/4885
US-20220098203-A1 AZA-HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER MAT2A, MAT2B, MAT1A CYP11B1 1747/4885CYP11B2 1107/4885CA12 3262/4885
US-20150190504-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP11B1 2444/4885CYP11B2 2642/4885CA12 4836/4885

“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.

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