SCHEMBL2017829

SCHEMBL2017829

COCCN1CCN(c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.43
LRRK2 Q5S007 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
ALOX12 P18054 1/20 0.35
ESR2 Q92731 1/20 0.35
METAP2 P50579 1/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MPI P34949 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP4K4 O95819 1/20 0.34
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSP90AA1 P07900 3/20 0.34
PPP1CA P62136 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
SCHEMBL2016663 0.91 KDM4E (0.44) PIK3CDLRRK2L3MBTL1KDM4EALDH1A1
SCHEMBL12631373 0.87 PIK3CD (0.49) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2163159 0.87 PIK3CD (0.43) PIK3CDLRRK2L3MBTL1KDM4EALDH1A1
SCHEMBL2015619 0.85 PIK3CD (0.42) PIK3CDLRRK2L3MBTL1KDM4EALDH1A1
SCHEMBL2163953 0.85 PIK3CD (0.43) PIK3CDLRRK2L3MBTL1KDM4EALDH1A1
SCHEMBL2014219 0.85 PIK3CD (0.45) PIK3CDLRRK2L3MBTL1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL2040790 0.85 PIK3CD (0.41) PIK3CDLRRK2L3MBTL1KDM4EALDH1A1
SCHEMBL2164764 0.84 PIK3CD (0.42) PIK3CDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2013639 0.84 PIK3CD (0.45) PIK3CDLRRK2L3MBTL1KDM4EALDH1A1
SCHEMBL2017831 0.84 METAP2 (0.38) LRRK2L3MBTL1KDM4EALDH1A1MAPT

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 13/4885LRRK2 293/4885L3MBTL1 2960/4885

“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.