SCHEMBL29994379

SCHEMBL29994379

NC(=O)c1cc2cccnc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.60
HRH4 Q9H3N8 2/20 0.56
HRH3 Q9Y5N1 1/20 0.56
DAO P14920 1/20 0.54
CNR2 P34972 1/20 0.53
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
NUDT1 P36639 1/20 0.47
HDAC1 Q13547 1/20 0.46
PARP1 P09874 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL1647417 1.00 RIPK1 (0.60) RIPK1HRH4HRH3DAOCNR2
SCHEMBL296469 0.84 HRH4 (0.57) RIPK1HRH4HRH3DAOCNR2
SCHEMBL13808700 0.83 KDM4E (0.59) RIPK1HRH4HRH3DAOCNR2
SCHEMBL28696362 0.83 CNR2 (0.57) RIPK1HRH4HRH3DAOCNR2
Hydrochloric Acid SCHEMBL1878102 0.83 HRH4 (0.56) RIPK1HRH4HRH3DAOCNR2
SCHEMBL4271585 0.80 HRH4 (0.57) RIPK1HRH4HRH3DAOCNR2
SCHEMBL15848423 0.80 RIPK1 (0.62) RIPK1HRH4HRH3DAOCNR2
SCHEMBL31088687 0.80 HRH4 (0.57) RIPK1HRH4HRH3DAOCNR2
Hydrochloric Acid SCHEMBL1879831 0.79 HRH4 (0.56) RIPK1HRH4HRH3DAOCNR2
SCHEMBL18181380 0.79 HRH4 (0.56) RIPK1HRH4HRH3DAOCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US claimed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP claimed
US-12636275-B2 Pharmaceutical use of ketoamide-based compound SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 US disclosed
CN-113197895-B Pharmaceutical application of ketoamide compound 中国科学院上海药物研究所 2023-06-20 CN disclosed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US disclosed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 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-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS RIPK1 3249/4885HRH4 971/4885HRH3 1468/4885
US-12636275-B2 Pharmaceutical use of ketoamide-based compound CTSV, CTSL, CTSS RIPK1 1882/4885HRH4 265/4885HRH3 438/4885

“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.