SCHEMBL5424020

SCHEMBL5424020

Cc1ccc(OB(O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CHRNB2 P17787 4/20 0.37
▸ CHRNA4 P43681 4/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNB3 Q05901 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ ADRA2A P08913 2/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ ADRA2C P18825 2/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL2891613 0.77 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL38660384 0.77 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL5512836 0.76 KMT2A (0.37) KMT2AMAPTHDAC1HDAC6CHRNB2
SCHEMBL31026422 0.76 NNMT (0.44) KMT2AMAPTCHRNB2CHRNA4MEN1
SCHEMBL2201487 0.76 NNMT (0.44) KMT2AMAPTCHRNB2CHRNA4MEN1
SCHEMBL30681884 0.76 — —
SCHEMBL29241951 0.75 MPO (0.43) HDAC1HDAC6
SCHEMBL30726705 0.75 MPO (0.43) HDAC1HDAC6
SCHEMBL1890852 0.75 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL27657607 0.75 CHRNA3 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3

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-119591600-A Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and use thereof 上海瑛派药业有限公司 2025-03-11 — — CN disclosed
CN-119591599-A Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and use thereof 上海瑛派药业有限公司 2025-03-11 — — CN disclosed
CN-119564686-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-03-07 — — CN disclosed
CN-119523983-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-02-28 — — CN disclosed
CN-119424429-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-02-14 — — CN disclosed
CN-114423756-B Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and use thereof 上海瑛派药业有限公司 2024-11-29 — — CN disclosed
CN-115003665-B DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2024-11-08 — — CN disclosed
CN-118055924-A Pyridyl-containing compounds 正大天晴药业集团股份有限公司 2024-05-17 — — CN disclosed
CN-116041399-A Octahedral cage embedded with ether bond metal organic palladium, and preparation method and application thereof 江苏科技大学 2023-05-02 — — CN disclosed
CN-109134492-B Thienopyrimidone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国科学院广州生物医药与健康研究院 2021-08-13 — — CN disclosed
EP-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 — — EP disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 — — US disclosed
EP-3072893-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF Beijing Forelandpharma Co. Ltd. (CN) 2016-09-28 — — EP disclosed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 — — US disclosed
EP-1736472-A1 2-AMINOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-27 — — 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 (2 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-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DMPK, MAP3K15, MAP4K2 KMT2A 3498/4885MAPT 2230/4885HDAC1 907/4885
US-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 KMT2A 469/4885MAPT 3882/4885HDAC1 2328/4885

“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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