SCHEMBL20568376

SCHEMBL20568376

CC(C)c1cc(C=O)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
HCAR3 P49019 1/20 0.48
PRKAB2 O43741 6/20 0.41
PRKAG1 P54619 6/20 0.41
PRKAA2 P54646 6/20 0.41
PRKAA1 Q13131 6/20 0.41
PRKAG3 Q9UGI9 6/20 0.41
PRKAG2 Q9UGJ0 6/20 0.41
PRKAB1 Q9Y478 6/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.33

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
SCHEMBL1041484 0.71
SCHEMBL29953860 0.71 TSHR (0.40) HCAR2RAB9AMEN1KMT2ADAO
SCHEMBL12500579 0.70
SCHEMBL786337 0.69 HCAR2 (0.50) HCAR2HCAR3PRKAB2PRKAG1PRKAA2
SCHEMBL2293236 0.68
SCHEMBL23943006 0.67 ESR1 (0.39)
SCHEMBL19400917 0.67
SCHEMBL20681842 0.67
SCHEMBL1269500 0.67
Hydrochloric Acid SCHEMBL31389982 0.67 HCAR2 (0.48) HCAR2HCAR3PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146645-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES HAVING KDM5 INHIBITORY ACTIVITY AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2025-06-25 EP disclosed
EP-4471027-A1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES HAVING KDM5 INHIBITORY ACTIVITY AND USE THEREOF ONO Pharmaceutical Co., Ltd. (JP) 2024-12-04 EP disclosed
CN-115461338-B 3-azabicyclo (3.1.0) hexane derivatives having KDM5 inhibitory activity and uses thereof 小野药品工业株式会社 2024-02-20 CN disclosed
US-11691968-B2 Compound having KDM5 inhibitory activity and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2023-07-04 US disclosed
EP-4146645-A1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES HAVING KDM5 INHIBITORY ACTIVITY AND USE THEREOF ONO Pharmaceutical Co., Ltd. (JP) 2023-03-15 EP disclosed
CN-115461338-A 3-azabicyclo (3.1.0) hexane derivatives having KDM5 inhibitory activity and uses thereof 小野药品工业株式会社 2022-12-09 CN disclosed
US-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-15 US disclosed
EP-3999183-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF Ono Pharmaceutical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215800-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 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 (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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, LCT HCAR2 4543/4885HCAR3 4660/4885PRKAB2 2817/4885
US-11691968-B2 Compound having KDM5 inhibitory activity and pharmaceutical use thereof KDM5A, KDM5B, KDM5D HCAR2 1733/4885HCAR3 2210/4885PRKAB2 1758/4885
US-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF KDM5A, KDM1B, KDM5D HCAR2 2298/4885HCAR3 2618/4885PRKAB2 1775/4885

“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.