SCHEMBL31339220

SCHEMBL31339220

C#Cc1cnccc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NUDT1 P36639 1/20 0.47
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
ELANE P08246 1/20 0.42
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CLK1 P49759 1/20 0.41
UBE2N P61088 1/20 0.41
NPC1 O15118 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
SCHEMBL31366358 0.89 TSHR (0.46) TSHRNUDT1TP53CASP1CDC7
Isoquinoline SCHEMBL6846502 0.83 TSHR (0.48) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL3354068 0.82 NUDT1 (0.43) TSHRNUDT1TP53CASP1CDC7
SCHEMBL23826138 0.82 KDM4E (0.60) TSHRCASP1ALDH1A1KMT2AKDM4E
SCHEMBL29837473 0.82 TSHR (0.60) TSHRNUDT1TP53CASP1CDC7
SCHEMBL3515887 0.82 TSHR (0.60) TSHRNUDT1TP53CASP1CDC7
SCHEMBL3290788 0.81 TSHR (0.50) TSHRNUDT1TP53CASP1CDC7
SCHEMBL277304 0.80 TSHR (0.53) TSHRNUDT1TP53CASP1CDC7
SCHEMBL13758656 0.79 TSHR (0.52) TSHRNUDT1TP53CASP1CDC7
SCHEMBL2568123 0.79 CA12 (0.56) TSHRNUDT1TP53CASP1CDC7

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-12215107-B1 Pyrazino[1′,2′:1,5]pyrazolo[4,3-c] [2,6] naphthyridine compounds as CK2 inhibitors King Faisal University (SA) 2025-02-04 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-12215107-B1 Pyrazino[1′,2′:1,5]pyrazolo[4,3-c] [2,6] naphthyridine compounds as CK2 inhibitors CSNK2A3, CKS2, CDK2 TSHR 3490/4885NUDT1 3514/4885TP53 143/4885

“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.