SCHEMBL2018067

SCHEMBL2018067

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCC(CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.44
L3MBTL1 Q9Y468 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ALOX12 P18054 5/20 0.36
NCOA3 Q9Y6Q9 2/20 0.35
NCOA1 Q15788 1/20 0.35
LRRK2 Q5S007 1/20 0.35
HSP90AA1 P07900 4/20 0.35
LMNA P02545 1/20 0.35
PPP1CA P62136 1/20 0.35
PSMD14 O00487 1/20 0.35

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
SCHEMBL2012187 0.94 PIK3CD (0.43) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2164791 0.93 PIK3CD (0.41) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2017049 0.92 PIK3CD (0.46) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2016495 0.91 PIK3CD (0.42) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2017133 0.90 PIK3CD (0.48) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL12470100 0.89 PIK3CD (0.45) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2012685 0.88 PIK3CD (0.41) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL12631373 0.88 PIK3CD (0.49) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2014219 0.88 PIK3CD (0.45) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2014973 0.88 PIK3CD (0.45) PIK3CDL3MBTL1KDM4EALDH1A1MAPT

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 9 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-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
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 13/4885L3MBTL1 2960/4885KDM4E 1058/4885

“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.