Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805091

SCHEMBL2805091

SCHEMBL2805091

O=C(O)c1cn[nH]c(=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.46
▸ HCAR2 Q8TDS4 6/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DDO Q99489 1/20 0.41
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ MGAM O43451 1/20 0.36
▸ CD74 P04233 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ KDM4A O75164 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 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
SCHEMBL9103871 0.81 PDPK1 (0.44) PTGS1POLBTSHRPARP1
SCHEMBL2896682 0.76 KDM4E (0.47) PTGS1KDM4EALDH1A1POLBLMNA
SCHEMBL3979828 0.76 ATM (0.49) PTGS1KDM4EALDH1A1KMT2APOLB
SCHEMBL4186879 0.74 PTGS1 (0.37) PTGS1TSHR
Bicarbonate SCHEMBL16266084 0.73 SMYD3 (0.45) ALDH1A1MEN1KMT2ATSHR
SCHEMBL2414968 0.71 SMYD3 (0.47) ALDH1A1MEN1KMT2ATSHR
SCHEMBL391604 0.70 — —
SCHEMBL174532 0.69 MGAM (0.49) MGAMP4HA1P4HTM
SCHEMBL1759261 0.68 DYRK1A (0.52) HCAR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL51830 0.66 HCAR2 (0.70) HCAR2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-12-07 — — US claimed
US-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-11-12 — — US claimed
EP-3672951-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 — — EP claimed
CN-110944994-A Quinoxaline derivatives as adenosine receptor antagonists 默克专利股份公司 2020-03-31 — — CN claimed
WO-2019038214-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 — — WO claimed
EP-2857387-A1 Process for manufacturing 1,6-dihydro-6-oxo-4-pyridazine carboxylic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-08 — — EP claimed
CN-115215923-B Macrocyclic broad-spectrum antibiotics 豪夫迈·罗氏有限公司 2026-05-19 — — CN disclosed
US-12312345-B2 Fluoroalkyl-oxadiazoles and uses thereof TENAYA THERAPEUTICS, INC. (US) 2025-05-27 — — US disclosed
US-20240182462-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. 2024-06-06 — — US disclosed
US-11926622-B2 Fluoroalkyl-oxadiazoles and uses thereof TENAYA THERAPEUTICS, INC. (US) 2024-03-12 — — US disclosed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 — — EP disclosed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 — — EP disclosed
EP-3968983-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2023-09-13 — — EP disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 — — US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 — — US 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 (7 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 PTGS1 940/4885HCAR2 153/4885KDM4E 1771/4885
US-11926622-B2 Fluoroalkyl-oxadiazoles and uses thereof HDAC6, HDAC1, HDAC3 PTGS1 3991/4885HCAR2 3057/4885KDM4E 2132/4885
US-20240182462-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF HDAC6, HDAC1, HDAC3 PTGS1 3991/4885HCAR2 3057/4885KDM4E 2132/4885
US-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA1, P2RY1 PTGS1 355/4885HCAR2 134/4885KDM4E 3520/4885
US-12312345-B2 Fluoroalkyl-oxadiazoles and uses thereof HDAC6, HDAC1, HDAC3 PTGS1 3991/4885HCAR2 3057/4885KDM4E 2132/4885
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists ADORA2A, ADORA1, P2RY1 PTGS1 355/4885HCAR2 134/4885KDM4E 3520/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 PTGS1 1505/4885HCAR2 173/4885KDM4E 1403/4885

“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.