SCHEMBL2566935

SCHEMBL2566935

FC(F)C1(c2nc(N3CCOCC3)nc3c2cnn3C2CCOCC2)N=c2ccccc2=N1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.46
PDE9A O76083 7/20 0.43
PDE1C Q14123 5/20 0.39
PDE1A P54750 4/20 0.39
PDE1B Q01064 4/20 0.39
PIK3CA P42336 7/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
POLB P06746 1/20 0.38
PIK3CG P48736 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
SCHEMBL1681397 0.83 PIK3CA (0.39) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1680101 0.73 LMNA (0.36) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1359010 0.72 PIK3CB (0.59) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL21980548 0.71 MTOR (0.42) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1680093 0.70 PIK3CA (0.41) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1680103 0.69 FLT3 (0.40) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1359008 0.69 MTOR (0.49) MTORPDE9APDE1CPIK3CAPIK3CD
SCHEMBL1680396 0.69 PIK3CB (0.61) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1680089 0.68 PIK3CA (0.40) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Hydrochloric Acid SCHEMBL11898611 0.68 MTOR (0.48) MTORPDE9APIK3CAPIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382207-A2 PI3K/MTOR KINASE INHIBITORS Xcovery Holding Company LLC (US) 2011-11-02 EP claimed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO claimed
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2018-09-13 US disclosed
US-9974774-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2018-05-22 US disclosed
US-20160166546-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2016-06-16 US disclosed
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2014-02-20 US disclosed
EP-2382207-A2 PI3K/MTOR KINASE INHIBITORS Xcovery Holding Company LLC (US) 2011-11-02 EP disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 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 (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-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 MTOR 38/4885PDE9A 740/4885PDE1C 709/4885
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 MTOR 2086/4885PDE9A 1292/4885PDE1C 2524/4885
US-20160166546-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 MTOR 2086/4885PDE9A 1292/4885PDE1C 2524/4885

“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.