SCHEMBL5857211

SCHEMBL5857211

BrCCCC#CCOC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
WEE1 P30291 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL21641751 0.95 MEN1 (0.36) MEN1KMT2AWEE1KDM4CGRM5
SCHEMBL21641754 0.94 MEN1 (0.38) MEN1KMT2AWEE1
SCHEMBL10576592 0.85 MEN1 (0.38) MEN1KMT2AKDM4CGRM5
SCHEMBL6151292 0.84 MEN1 (0.36) MEN1KMT2AWEE1KDM4CGRM5
SCHEMBL5369982 0.83 MEN1 (0.34) MEN1KMT2AKDM4CGRM5
SCHEMBL11143492 0.83 MEN1 (0.36) MEN1KMT2AWEE1KDM4CGRM5
SCHEMBL6151098 0.83 MEN1 (0.33) MEN1KMT2AWEE1KDM4CGRM5
SCHEMBL7881560 0.83 MEN1 (0.33) MEN1KMT2AWEE1KDM4CGRM5
SCHEMBL19331601 0.83 MEN1 (0.47) MEN1KMT2AKDM4C
SCHEMBL10468432 0.83 MEN1 (0.33) MEN1KMT2AWEE1KDM4CGRM5

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623615-B Macrocyclic derivatives of pyrazolo [3,4-d ] pyrimidin-3-one, pharmaceutical compositions and uses thereof 上海迪诺医药科技有限公司 2022-12-13 CN disclosed
EP-3604306-B1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-10-26 EP disclosed
US-11248006-B2 Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2022-02-15 US disclosed
US-20200377520-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-12-03 US disclosed
EP-3604306-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2020-02-05 EP disclosed
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 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 (6 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB MEN1 1291/4885KMT2A 1723/4885WEE1 3408/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE MEN1 1359/4885KMT2A 2137/4885WEE1 2353/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC MEN1 1356/4885KMT2A 2456/4885WEE1 1779/4885
US-20200377520-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF WEE1, WEE2, PDPK1 MEN1 1993/4885KMT2A 3249/4885WEE1 1/4885
US-11248006-B2 Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof WEE1, WEE2, PDPK1 MEN1 1993/4885KMT2A 3249/4885WEE1 1/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC MEN1 1356/4885KMT2A 2456/4885WEE1 1779/4885

“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.