SCHEMBL8048689

SCHEMBL8048689

O=C(Nc1n[nH]c2nc(-c3cnn4ccccc34)c(F)cc12)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP4K2 Q12851 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIM3 Q86V86 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SGK2 Q9HBY8 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
CDK7 P50613 1/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 5/20 0.39
RAB9A P51151 4/20 0.39

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
SCHEMBL8043069 0.91 GSK3B (0.52) MAP4K4CDK1CDK2CLK2GSK3B
SCHEMBL8031088 0.89 CDK2 (0.41) MAP4K4CDK1CDK2CLK2GSK3B
SCHEMBL13099704 0.89 CDK2 (0.42) MAP4K4CDK1CDK2CLK2GSK3B
SCHEMBL8043054 0.86 EPHB3 (0.47) GSK3BKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL13099698 0.86 GRM5 (0.42) MAP4K4CDK1CDK2CLK2GSK3B
SCHEMBL8041157 0.85 CDK2 (0.40) MAP4K4CDK1CDK2CLK2GSK3B
SCHEMBL8042726 0.84 EPHB3 (0.46) KDM4ERAB9ANPC1TP53EGFR
SCHEMBL8048684 0.84 ROCK1 (0.46) GSK3BKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL13099711 0.84 EPHB3 (0.40) CDK2GSK3BALDH1A1NPC1JAK2
SCHEMBL13099662 0.83 IRAK4 (0.45) GSK3BKDM4ERAB9ASMN1; SMN2ALDH1A1

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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
WO-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 WO 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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MAP3K20, MAP3K3, MAP3K1 MAP4K4 77/4885CDK1 107/4885CDK2 82/4885

“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.