SCHEMBL7906265

SCHEMBL7906265

Nc1ncc(-c2nc(Cl)nc3c2cnn3C2CCOC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.41
PIK3R1 P27986 6/20 0.41
MTOR P42345 5/20 0.40
KDR P35968 4/20 0.40
PIK3CD O00329 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
HCK P08631 2/20 0.40
SRC P12931 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
EPHB4 P54760 2/20 0.40
PRKDC P78527 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
RET P07949 2/20 0.39
CNR2 P34972 1/20 0.39
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
MAP3K12 Q12852 1/20 0.38

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
SCHEMBL12137509 0.93 PDE1C (0.43) PIK3CAPIK3R1MTORPDE1APDE1B
SCHEMBL7916075 0.83 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL1359656 0.82 PIK3CA (0.59) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL7916069 0.80 CNR2 (0.44) CNR2PDE1APDE1BPDE1CPDE4D
SCHEMBL7913529 0.79 YTHDC1 (0.43) RETPDE1APDE1BPDE1CPDE9A
SCHEMBL12137513 0.78 PDE1C (0.44) PIK3CAPIK3R1MTORPDE1APDE1B
SCHEMBL12537370 0.77 PIK3CA (0.44) PIK3CAPIK3R1MTORCNR2RICTOR
SCHEMBL1359235 0.76 MTOR (0.61) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL14790920 0.76 MTOR (0.51) MTORPDE1APDE1BPDE1CPDE4D
Hydrochloric Acid SCHEMBL1360360 0.76 MTOR (0.60) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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 PIK3CA 2/4885PIK3R1 27/4885MTOR 1/4885

“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.