SCHEMBL2440966

SCHEMBL2440966

COc1cc(-c2cn(-c3nc(N4CCOCC4)nc(N4CC5(COC5)C4)n3)cn2)cc(OC)c1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 10/20 0.83
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL1310166 0.91 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2442847 0.85 MTOR (0.60) MTOR
SCHEMBL2439629 0.79 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3326770 0.77 MTOR (1.00) MTORPIK3CAPIK3CDERN1
SCHEMBL3327066 0.77 MTOR (1.00) MTORPIK3CAKDM4ECYP1A2CYP3A4
SCHEMBL3327130 0.70 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1309671 0.68 MTOR (0.73) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1311137 0.68 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1311921 0.68 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1310716 0.68 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2013-02-14 — — US claimed
US-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2013-02-14 — — US disclosed
EP-2547684-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2013-01-23 — — EP disclosed
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 — — 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-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES CDK4, GRK4, RPS6KA4 MTOR 6/4885PIK3CA 13/4885PIK3CD 117/4885

“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.

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