SCHEMBL7914668

SCHEMBL7914668

CCNC(=O)Nc1ccc(-c2nc(Cl)nc3c2cnn3CC(C)(C)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.45
PIK3CA P42336 13/20 0.45
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE1C Q14123 1/20 0.39
PDE3A Q14432 1/20 0.39
PSD A5PKW4 1/20 0.38
PIK3CG P48736 1/20 0.38
ROCK1 Q13464 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
SCHEMBL14790899 0.90 MTOR (0.49) MTORPIK3CAROCK1
SCHEMBL7911581 0.86 MTOR (0.38) MTORPIK3CAPIK3CGROCK1
SCHEMBL7913091 0.82 MTOR (0.58) MTORPIK3CAPIK3CG
SCHEMBL14790923 0.80 KDM4E (0.43) MTORROCK1
SCHEMBL16310133 0.75 KDM4E (0.34)
SCHEMBL2599579 0.73 MTOR (0.69) MTORPIK3CAPIK3CG
SCHEMBL7919817 0.73 ALOX5AP (0.36) PIK3CA
SCHEMBL7904205 0.70 PLK4 (0.41) PIK3CA
SCHEMBL14776535 0.70 MTOR (0.55) MTORPIK3CA
SCHEMBL14776693 0.70 MTOR (0.55) MTORPIK3CA

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
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US 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 (2 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-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS MTOR, ULK1, ULK2 MTOR 1/4885PIK3CA 69/4885PDE5A 2676/4885
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA MTOR 1/4885PIK3CA 2/4885PDE5A 2784/4885

“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.