SCHEMBL24852178

SCHEMBL24852178

O=C1NCCc2[nH]nc(I)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.40
BUB1 O43683 2/20 0.34
CRBN Q96SW2 1/20 0.32
CDK9 P50750 2/20 0.32
PLK4 O00444 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
RPS6KA4 O75676 1/20 0.32
PRKD3 O94806 1/20 0.32
CHEK2 O96017 1/20 0.32
CDK1 P06493 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK1 P28482 1/20 0.32
AKT1 P31749 1/20 0.32
CSNK1A1 P48729 1/20 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
SCHEMBL21678340 0.77 CDC7 (0.36) CDC7BUB1CRBNCDK9PLK4
SCHEMBL29738463 0.77 CDC7 (0.43) CDC7BUB1CRBNCDK9PLK4
SCHEMBL30625735 0.65 CDC7 (0.40) CDC7BUB1CRBNCDK9PLK4
SCHEMBL15690360 0.61 CDC7 (0.53) CDC7CDK9PLK4MAPK13DAPK3
SCHEMBL23340093 0.60 SOS1 (0.47)
SCHEMBL19154250 0.59 LRRK2 (0.39) CDC7LRRK2
SCHEMBL19152637 0.59 PARP10 (0.38) CDC7LRRK2
SCHEMBL17262729 0.59 CDC7 (0.42) CDC7CDK9PLK4MAPK13DAPK3
SCHEMBL19216379 0.58
SCHEMBL17234785 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002374-A1 GPR52 MODULATOR COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2023-01-05 US disclosed
EP-4055016-A1 GPR52 MODULATOR COMPOUNDS Heptares Therapeutics Limited (GB) 2022-09-14 EP disclosed
CN-114650992-A GPR52 modulator compounds 赫普泰雅治疗有限公司 2022-06-21 CN 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-20230002374-A1 GPR52 MODULATOR COMPOUNDS GPR52, GPR119, GPR4 CDC7 4082/4885BUB1 3770/4885CRBN 4056/4885

“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.