SCHEMBL2018025

SCHEMBL2018025

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccccc2c1N1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.41
STK3 Q13188 2/20 0.35
STK4 Q13043 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
AURKA O14965 2/20 0.34
RPS6KB1 P23443 2/20 0.34
AURKB Q96GD4 2/20 0.34
JAK2 O60674 2/20 0.34
EGFR P00533 2/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
PDPK1 O15530 1/20 0.34
ROCK2 O75116 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
NTRK1 P04629 1/20 0.34
PRKCG P05129 1/20 0.34
INSR P06213 1/20 0.34

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
SCHEMBL2017049 0.92 PIK3CD (0.46) PIK3CDSLC40A1PIK3R2
SCHEMBL2014973 0.88 PIK3CD (0.45) PIK3CDSLC40A1PIK3CGPIK3R2SOS1
SCHEMBL2017133 0.85 PIK3CD (0.48) PIK3CDDYRK1APIK3R2
SCHEMBL2018067 0.84 PIK3CD (0.44) PIK3CDLRRK2SLC40A1IRAK4PIK3R2
SCHEMBL2013199 0.84 PIK3CD (0.44) PIK3CDPIK3CGPIK3R2
SCHEMBL12470100 0.84 PIK3CD (0.45) PIK3CDPIK3R2
SCHEMBL2012980 0.83 PIK3CD (0.43) PIK3CDLRRK2SLC40A1
SCHEMBL2015748 0.83 PIK3CD (0.43) PIK3CDLRRK2SLC40A1
SCHEMBL2014219 0.83 PIK3CD (0.45) PIK3CDLRRK2CDC7PIK3R2KRAS
SCHEMBL2012187 0.83 PIK3CD (0.43) PIK3CDSLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US claimed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO claimed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 PIK3CD 13/4885STK3 453/4885STK4 1244/4885

“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.