SCHEMBL31310076

SCHEMBL31310076

O=c1[nH]ccc2c1NCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.40
PARP10 Q53GL7 9/20 0.38
PARP1 P09874 8/20 0.38
PARP11 Q9NR21 4/20 0.38
PDPK1 O15530 1/20 0.38
CRBN Q96SW2 1/20 0.35
MAPT P10636 2/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 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
SCHEMBL15468004 0.72 MAP2K1 (0.60) MAP2K1PARP10PARP1PARP11PDPK1
SCHEMBL10152934 0.69
SCHEMBL3495344 0.68 HTR1D (0.40) PARP1DRD2DRD4
SCHEMBL29850336 0.68 PNMT (0.46) PARP1
SCHEMBL4382926 0.67 NOTUM (0.42) MAP2K1PARP10PARP1PARP11CRBN
SCHEMBL16064614 0.64 CD44 (0.46) MEN1KMT2A
SCHEMBL8343856 0.64 PARP1 (0.33) PARP1MAPTDAO
SCHEMBL22926224 0.64 PARP1 (0.39) PARP10PARP1PARP11PDPK1MAPT
SCHEMBL4723110 0.64 PARP1 (0.47) PARP1PDPK1MAPT
SCHEMBL917625 0.64 PARP1 (0.43) PARP1PDPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002493-A1 PYRIDONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE Nanjing China-australia Institute Of Translational Medicine Co., Ltd. (CN) 2025-01-02 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 (1 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-20250002493-A1 PYRIDONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE XIAP, BIRC5, BIRC2 MAP2K1 296/4885PARP10 954/4885PARP1 377/4885

“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.