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
SCHEMBL659375 0.74 AHR (0.48) GSK3BPDE3BPDE3ABRD4ALDH1A1
SCHEMBL29550002 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.