SCHEMBL8043844

SCHEMBL8043844

O=C(Nc1n[nH]c2nc(-c3cnn4ccccc34)c(F)cc12)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 18/20 0.54
GSK3B P49841 18/20 0.54
CDK2 P24941 3/20 0.51
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40

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
SCHEMBL8043843 0.96 GSK3A (0.58) GSK3AGSK3BCDK2ADORA2AADORA1
SCHEMBL3263415 0.85 GSK3B (0.49) GSK3AGSK3BCDK2ADORA2AADORA1
SCHEMBL8043054 0.83 EPHB3 (0.47) GSK3AGSK3B
SCHEMBL13099790 0.83 CCNT1 (0.42) CDK2ADORA2AADORA1CCNT1CDK9
SCHEMBL13099704 0.82 CDK2 (0.42) GSK3AGSK3BCDK2CDK9
SCHEMBL3231677 0.82 GSK3B (0.49) GSK3AGSK3BCDK2ADORA2AADORA1
SCHEMBL8043069 0.81 GSK3B (0.52) GSK3AGSK3BCDK2
SCHEMBL3263536 0.81 GSK3B (0.52) GSK3AGSK3BCDK2ADORA2AADORA1
SCHEMBL8048684 0.81 ROCK1 (0.46) GSK3AGSK3B
SCHEMBL8031088 0.81 CDK2 (0.41) GSK3AGSK3BCDK2CDK9

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 GSK3A 206/4885GSK3B 208/4885CDK2 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.