SCHEMBL2015060

SCHEMBL2015060

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 3/20 0.42
PIK3CD O00329 2/20 0.41
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 4/20 0.38
HSP90AA1 P07900 1/20 0.38
KIT P10721 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36
ESR2 Q92731 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
MAPK1 P28482 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
Trifluoroacetic Acid SCHEMBL2054305 0.95 PIK3CD (0.40) MEN1KMT2AMAPTPIK3CDPKM
SCHEMBL2017432 0.93 PIK3CD (0.42) MEN1KMT2AMAPTPIK3CDHTT
SCHEMBL2017857 0.93 PIK3CD (0.42) MAPTPIK3CDALDH1A1HTTSMN1; SMN2
SCHEMBL2016485 0.91 PIK3CD (0.41) MAPTPIK3CDALDH1A1HTTLMNA
SCHEMBL2017420 0.90 PIK3CD (0.50) MAPTPIK3CDALDH1A1HTTSMN1; SMN2
SCHEMBL2014633 0.90 PIK3CD (0.46) MAPTPIK3CDALDH1A1KITL3MBTL1
Trifluoroacetic Acid SCHEMBL2054376 0.89 PIK3CD (0.41) MAPTPIK3CDKITL3MBTL1SLC40A1
Trifluoroacetic Acid SCHEMBL2053153 0.89 PIK3CD (0.41) PIK3CDSMN1; SMN2KITL3MBTL1ALOX12
SCHEMBL2164038 0.88 PIK3CD (0.42) MAPTPIK3CDALDH1A1HTTLMNA
SCHEMBL2165010 0.87 PIK3CD (0.42) MEN1KMT2AMAPTPIK3CDALDH1A1

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 MEN1 4620/4885KMT2A 1147/4885MAPT 4496/4885

“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.