SCHEMBL2017432

SCHEMBL2017432

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
KIT P10721 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 4/20 0.37
MTOR P42345 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
NPY2R P49146 2/20 0.37
SLC40A1 Q9NP59 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 3/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KAT2B Q92831 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SLC6A7 Q99884 2/20 0.36
ALOX12 P18054 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL2054376 0.96 PIK3CD (0.41) PIK3CDKITL3MBTL1RAB9AMTOR
SCHEMBL2017857 0.95 PIK3CD (0.42) PIK3CDKITL3MBTL1RAB9AMTOR
SCHEMBL2014633 0.93 PIK3CD (0.46) PIK3CDKITL3MBTL1RAB9AMTOR
SCHEMBL2015060 0.93 MEN1 (0.42) PIK3CDKITL3MBTL1SLC40A1MAPT
Trifluoroacetic Acid SCHEMBL2053153 0.92 PIK3CD (0.41) PIK3CDKITL3MBTL1RAB9AMTOR
SCHEMBL2017420 0.92 PIK3CD (0.50) PIK3CDL3MBTL1NPY2RSLC40A1MAPT
SCHEMBL2164038 0.92 PIK3CD (0.42) PIK3CDL3MBTL1RAB9ASLC40A1MAPT
Trifluoroacetic Acid SCHEMBL2163822 0.91 PIK3CD (0.43) PIK3CDKITL3MBTL1RAB9AMTOR
Trifluoroacetic Acid SCHEMBL2054305 0.90 PIK3CD (0.40) PIK3CDKITL3MBTL1MAPTHSP90AA1
Trifluoroacetic Acid SCHEMBL2054020 0.90 PIK3CD (0.47) PIK3CDL3MBTL1NPY2RSLC40A1MAPT

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 13/4885KIT 1444/4885L3MBTL1 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.