SCHEMBL1673456

SCHEMBL1673456

O=C1OCCCN1c1ccc2[nH]cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
IP6K1 Q92551 3/20 0.39
IP6K3 Q96PC2 1/20 0.39
F10 P00742 1/20 0.38
QPCT Q16769 10/20 0.38
TNKS O95271 1/20 0.38
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1444904 0.92 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBIP6K1IP6K3
SCHEMBL30071487 0.81 QPCT (0.49) PIK3CAPIK3CDPIK3CBQPCTKDM4E
SCHEMBL20860162 0.76 PIK3CD (0.41) PIK3CAPIK3CDPIK3CBIP6K1IP6K3
SCHEMBL18867240 0.75 PIK3CD (0.40) PIK3CAPIK3CDPIK3CBIP6K1IP6K3
SCHEMBL1444275 0.72 IP6K1 (0.59) PIK3CAPIK3CDPIK3CBIP6K1IP6K3
SCHEMBL23122757 0.72 PIK3CD (0.66) PIK3CAPIK3CDPIK3CBIP6K1IP6K3
SCHEMBL29745276 0.72 PIK3CD (0.66) PIK3CAPIK3CDPIK3CBIP6K1IP6K3
SCHEMBL23122450 0.71 IP6K1 (0.60) PIK3CAPIK3CDPIK3CBIP6K1IP6K3
SCHEMBL4090586 0.71 F10 (0.36) PIK3CAPIK3CDIP6K1F10TNKS
SCHEMBL4414346 0.69 DDB1 (0.43) F10TNKSKDM4EALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
EP-2475428-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2012-07-18 EP disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 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 (3 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS PIK3CA 2133/4885PIK3CD 1374/4885PIK3CB 1634/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS PIK3CA 2133/4885PIK3CD 1374/4885PIK3CB 1634/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS PIK3CA 2133/4885PIK3CD 1374/4885PIK3CB 1634/4885

“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.