SCHEMBL1269228

SCHEMBL1269228

Cn1c(=O)n(-c2ccnc(N)c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.38
▸ CDC7 O00311 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BRPF1 P55201 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GSK3B P49841 2/20 0.35

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
SCHEMBL1269676 0.85 KCNH2 (0.42) PGRALDH1A1GSK3BKCNH2DYRK1A
SCHEMBL1268494 0.82 GSK3B (0.39) CDC7CDK2KDM4EMEN1NOS3
SCHEMBL24405984 0.80 EED (0.45) PGRMAP4K1PIK3CAPRKDCGRM4
SCHEMBL24405904 0.74 LRRK2 (0.55) MAP4K1PIK3CAKDM4EMEN1KMT2A
SCHEMBL6362809 0.73 PGR (0.68) PGRMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21474185 0.73 ROCK2 (0.39) PIK3CA
SCHEMBL1269528 0.72 MKNK1 (0.41) MAP4K1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL24405885 0.72 PGR (0.33) PGRMAP4K1PIK3CAPRKDCGRM4
SCHEMBL21474184 0.71 JAK2 (0.47) PGRKDM4E
SCHEMBL14094434 0.70 SMN1; SMN2 (0.47) PGRGRM4ALDH1A1SMN1; SMN2CYP1A2

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP PGR 4372/4885MAP4K1 661/4885CDC7 1357/4885

“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.

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