SCHEMBL7919817

SCHEMBL7919817

CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.36
CYP2C9 P11712 2/20 0.36
PLK4 O00444 2/20 0.36
CYP2D6 P10635 1/20 0.36
MERTK Q12866 1/20 0.34
ADORA2A P29274 4/20 0.34
HDAC1 Q13547 2/20 0.34
ADORA1 P30542 2/20 0.33
PIK3CA P42336 3/20 0.33
PIK3R1 P27986 2/20 0.33
MAP3K12 Q12852 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TRAP1 Q12931 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 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
SCHEMBL14790923 0.82 KDM4E (0.43) PLK4ADORA2AADORA1HSP90AB1KDM4E
SCHEMBL1360076 0.79 PIK3CA (0.52) HDAC1PIK3CAPIK3R1
SCHEMBL7904205 0.78 PLK4 (0.41) PLK4PIK3CALRRK2HSP90AA1HSP90AB1
SCHEMBL11909606 0.78 PDE2A (0.51) CYP2D6PIK3CAKDM4EALDH1A1MAPT
SCHEMBL12137430 0.77 PIK3CA (0.42) ALOX5APCYP2C9PIK3CAPIK3R1MAP3K12
SCHEMBL11980096 0.77 XDH (0.47) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL12537278 0.76 PIK3CA (0.41) ADORA2AHDAC1PIK3CAPIK3R1HSP90AA1
SCHEMBL14790899 0.74 MTOR (0.49) PIK3CAALDH1A1
SCHEMBL7911581 0.74 MTOR (0.38) PLK4PIK3CA
SCHEMBL16310133 0.73 KDM4E (0.34) PLK4KDM4EALDH1A1MAPTHPGD

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 6 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-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 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 (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-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA ALOX5AP 3362/4885CYP2C9 1036/4885PLK4 167/4885

“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.