SCHEMBL1269255

SCHEMBL1269255

Nc1ccc(N2CCC(=O)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
MTOR P42345 3/20 0.43
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GCK P35557 2/20 0.36
MAPT P10636 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPC6 Q9Y210 3/20 0.36
GCKR Q14397 1/20 0.35
POLB P06746 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL13768894 0.90 PIK3CA (0.48) PIK3CAMTORGCKMAPTCHRNB2
SCHEMBL7983473 0.77 MAPT (0.48) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL29660767 0.76 PIK3CA (0.52) PIK3CAMTORGCKTRPC6GCKR
SCHEMBL4892107 0.76 PIK3CA (0.52) PIK3CAMTORGCKTRPC6GCKR
SCHEMBL29660579 0.76 PIK3CA (0.50) PIK3CAMTORCHRNB2CHRNA4KDM4E
SCHEMBL1991950 0.76 PIK3CA (0.50) PIK3CAMTORCHRNB2CHRNA4KDM4E
SCHEMBL13779836 0.74 MAPT (0.50) PIK3CAMTORMEN1KMT2AGCK
SCHEMBL3367822 0.74 CHRNB2 (0.47) MEN1KMT2AGCKMAPTCHRNB2
SCHEMBL29883782 0.74 MAPT (0.50) PIK3CAMTORMEN1KMT2AGCK
SCHEMBL19986421 0.74 GCK (0.41) GCKMAPTCHRNB2CHRNA4TRPC6

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 PIK3CA 388/4885MTOR 152/4885MEN1 1917/4885

“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.