SCHEMBL856129

SCHEMBL856129

[c]1ncnc2c1C(c1ccccc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
CDK8 P49336 1/20 0.36
CDK9 P50750 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ADRA1A P35348 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
CTRB1 P17538 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL858453 0.68 PDGFRA (0.36) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL15576285 0.68 CFTR (0.38) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL856463 0.66 MAPT (0.42) ADRA1ACTRB1GAAMAPTTSHR
SCHEMBL29231359 0.61 HCAR2 (0.44) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL13210441 0.59 DDB1 (0.57) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL10640168 0.59 DDB1 (0.47) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL5322391 0.59 DDB1 (0.47) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL11548037 0.59
SCHEMBL16392326 0.59 DDB1 (0.43) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL1698202 0.58 OPRL1 (0.46) PDGFRAPRKACAKDRCDK8CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDGFRA 1516/4885PRKACA 422/4885KDR 2561/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDGFRA 1653/4885PRKACA 360/4885KDR 2886/4885

“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.