SCHEMBL30219913

SCHEMBL30219913

O=c1[nH]cc(CO)c2sccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.50
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TNKS O95271 1/20 0.35
PARP15 Q460N3 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PDPK1 O15530 1/20 0.35
KRAS P01116 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
NEK1 Q96PY6 3/20 0.32

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
SCHEMBL30219969 0.79 CDK2 (0.40) PARP1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL5240090 0.73 GSK3B (0.45) PARP1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL29196591 0.72 KDM4E (0.56) PARP1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL7007466 0.72 HTR2A (0.47) PARP1KDM4ETNKSPARP15TNKS2
SCHEMBL30219889 0.71 PARP1 (0.61) PARP1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL22301763 0.69 PARP1 (0.37) PARP1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL3069636 0.69 DPYD (0.42) PARP1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL30753217 0.68 NR4A2 (0.45) KDM4EGLAMEN1KMT2A
SCHEMBL31484409 0.68 ALDH1A1 (0.41) PARP1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL1450878 0.67 PARP1 (1.00) PARP1CSNK2A2CSNK2BCSNK2A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 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 (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-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 PARP1 3415/4885CSNK2A2 1161/4885CSNK2B 1087/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 PARP1 3415/4885CSNK2A2 1161/4885CSNK2B 1087/4885

“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.