SCHEMBL16065191

SCHEMBL16065191

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.42
▸ HIF1A Q16665 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GABRA1 P14867 7/20 0.41
▸ GABRG2 P18507 7/20 0.41
▸ GABRB3 P28472 7/20 0.41
▸ GABRA5 P31644 7/20 0.41
▸ GABRA3 P34903 7/20 0.41
▸ GABRA2 P47869 7/20 0.41
▸ GABRA4 P48169 7/20 0.41
▸ GABRA6 Q16445 7/20 0.41
▸ GABRP O00591 6/20 0.41
▸ GABRD O14764 6/20 0.41
▸ GABRB1 P18505 6/20 0.41
▸ GABRB2 P47870 6/20 0.41
▸ GABRE P78334 6/20 0.41
▸ GABRG1 Q8N1C3 6/20 0.41
▸ GABRG3 Q99928 6/20 0.41
▸ GABRQ Q9UN88 6/20 0.41
▸ JMJD6 Q6NYC1 1/20 0.39

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
SCHEMBL883634 0.85 DGAT1 (0.43) HIF1AKDM4EALDH1A1DGAT1GSK3A
SCHEMBL29792056 0.85 DGAT1 (0.43) HIF1AKDM4EALDH1A1DGAT1GSK3A
SCHEMBL23033308 0.81 MAPT (0.40) NPC1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL23012894 0.81 RAB9A (0.39) UCHL1HIF1ACYP1A2GABRA1GABRG2
SCHEMBL18274813 0.80 KDM4E (0.46) HIF1AMAPTKDM4EALDH1A1LMNA
SCHEMBL22685876 0.80 ALDH1A1 (0.40) HIF1AALDH1A1DGAT1GSK3AGSK3B
SCHEMBL29504593 0.80 ALDH1A1 (0.40) HIF1AALDH1A1DGAT1GSK3AGSK3B
SCHEMBL2315142 0.80 ALDH1A1 (0.40) HIF1AALDH1A1DGAT1GSK3AGSK3B
SCHEMBL16611149 0.80 DGAT1 (0.49) UCHL1HIF1ACYP1A2GABRA1GABRG2
SCHEMBL18274832 0.80 HIF1A (0.39) UCHL1HIF1ANPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891377-B1 Pyrrolo[3,2-c][2,7]naphthyridine-2-carboxylic acid compounds as CK2 inhibitors King Faisal University (SA) 2024-02-06 — — US disclosed
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 — — EP disclosed
US-10280142-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-05-07 — — US disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 — — US disclosed
EP-3101004-B1 BIPYRIDYL COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2018-12-05 — — EP disclosed
EP-2970334-B1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC (US) 2018-05-23 — — EP disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 — — US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 — — US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 — — US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 — — EP disclosed
US-9617282-B2 Macrocyclic compounds as IRAK4 inhibitors for the treatment of inflammatory diseases BIOGEN MA INC. (US) 2017-04-11 — — US disclosed
US-9617282-B2 Macrocyclic compounds as IRAK4 inhibitors for the treatment of inflammatory diseases BIOGEN MA INC. (US) 2017-04-11 — — US disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 — — WO disclosed
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2016-01-07 — — US disclosed
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2016-01-07 — — US disclosed
WO-2014143672-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN IDEC MA INC. (US) 2014-09-18 — — WO 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-11891377-B1 Pyrrolo[3,2-c][2,7]naphthyridine-2-carboxylic acid compounds as CK2 inhibitors CSNK2A2, CKS2, CSNK2A3 UCHL1 1633/4885HIF1A 995/4885CYP1A2 3765/4885
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES IRAK4, IRAK1, IRAK2 UCHL1 4393/4885HIF1A 2872/4885CYP1A2 2273/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 UCHL1 4531/4885HIF1A 313/4885CYP1A2 133/4885
US-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 UCHL1 4240/4885HIF1A 387/4885CYP1A2 1111/4885
US-10280142-B2 Bipyridyl compound CBR1, NR0B2, ERBB2 UCHL1 4531/4885HIF1A 313/4885CYP1A2 133/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 UCHL1 4240/4885HIF1A 387/4885CYP1A2 1111/4885

“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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