SCHEMBL4053244

SCHEMBL4053244

CSc1ccc(-c2cnc3nc(-c4cccc(OC(C)C)c4)[nH]c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.46
MAP4K1 Q92918 1/20 0.42
IKBKE Q14164 10/20 0.41
TBK1 Q9UHD2 10/20 0.41
AURKB Q96GD4 5/20 0.41
CDK2 P24941 1/20 0.41
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL4058280 0.89 AURKA (0.50) AURKAMAP4K1IKBKETBK1AURKB
SCHEMBL4054621 0.87 AURKA (0.47) AURKAMAP4K1IKBKETBK1AURKB
SCHEMBL4054849 0.86 AURKA (0.49) AURKAMAP4K1IKBKETBK1AURKB
SCHEMBL4053786 0.85 AURKA (0.60) AURKAIKBKETBK1AURKBCDK2
SCHEMBL4055805 0.84 AURKA (0.47) AURKAMAP4K1IKBKETBK1AURKB
SCHEMBL4056492 0.84 AURKA (0.47) AURKAMAP4K1IKBKETBK1AURKB
SCHEMBL4054788 0.83 AURKA (0.47) AURKAMAP4K1IKBKETBK1AURKB
SCHEMBL13608389 0.83 TGFBR1 (0.42) MAP4K1TGFBR1ACVR1HDAC6RXRA
SCHEMBL4051797 0.80 AURKA (0.44) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL4051344 0.80 USP30 (0.47) AURKAIKBKETBK1AURKBGABRA1

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B AURKA 247/4885MAP4K1 108/4885IKBKE 129/4885

“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.