SCHEMBL17443544

SCHEMBL17443544

O=C(O)c1cc2[nH]ncc2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ASPH Q12797 2/20 0.42
KDM8 Q8N371 1/20 0.42
KMT2A Q03164 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41

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
SCHEMBL29390014 1.00 KDM4E (0.42) KDM4EASPHKDM8KMT2AGABRP
SCHEMBL4995761 0.85 SMYD3 (0.52) KDM4EASPHKDM8KMT2AGABRP
SCHEMBL17439546 0.84 CHEK1 (0.44) KDM4EKMT2ACHEK1SMYD3HIF1A
SCHEMBL29950421 0.84 CHEK1 (0.44) KDM4EKMT2ACHEK1SMYD3HIF1A
SCHEMBL24339322 0.80 MAPK1 (0.47) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL17439509 0.80 ROCK2 (0.51) KDM4EKMT2ASMYD3CYP1A2CYP3A4
SCHEMBL30038884 0.80 MAPK1 (0.47) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL19275664 0.76 CHEK1 (0.40) KDM4EKMT2ACHEK1CYP1A2CYP3A4
SCHEMBL18372731 0.76 L3MBTL1 (0.41) KDM4EKMT2AGABRA1GABRG2GABRB3
SCHEMBL30587623 0.76 L3MBTL1 (0.41) KDM4EKMT2AGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630554-B2 Pyrimidinone compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2026-05-19 US disclosed
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
US-20240002388-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2024-01-04 US disclosed
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
CN-110072863-B RIP1 kinase inhibitors and methods of use 豪夫迈·罗氏有限公司 2022-08-30 CN disclosed
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 CN disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN disclosed
EP-3169679-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2017-05-24 EP disclosed
WO-2016008590-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2016-01-21 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 (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-20240002388-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF TYMP, DPYD, DHFR KDM4E 2745/4885ASPH 699/4885KDM8 1726/4885
US-12630554-B2 Pyrimidinone compounds and uses thereof CYP2D6, TPMT, CYP2B6 KDM4E 3657/4885ASPH 1816/4885KDM8 1739/4885

“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.