SCHEMBL2017405

SCHEMBL2017405

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.43
DRD4 P21917 3/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
HIF1A Q16665 1/20 0.36
DRD2 P14416 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SOS1 Q07889 2/20 0.33
MAPT P10636 2/20 0.33
PPP1CA P62136 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL2017826 0.98 PIK3CD (0.44) PIK3CDDRD4HTR1AADRA2AHTR2A
SCHEMBL2013639 0.96 PIK3CD (0.45) PIK3CDHTR1AALDH1A1LMNAHTT
SCHEMBL2165293 0.94 PIK3CD (0.43) PIK3CDALDH1A1LMNAHTTL3MBTL1
Trifluoroacetic Acid SCHEMBL2054114 0.93 PIK3CD (0.40) PIK3CDDRD4HTR1AADRA2AHTR2A
Trifluoroacetic Acid SCHEMBL2053550 0.91 PIK3CD (0.41) PIK3CDDRD4HTR1AADRA2AHTR2A
SCHEMBL12631373 0.89 PIK3CD (0.49) PIK3CDALDH1A1LMNAHTTL3MBTL1
Trifluoroacetic Acid SCHEMBL2163475 0.89 PIK3CD (0.42) PIK3CDALDH1A1L3MBTL1NPSR1SOS1
SCHEMBL2016538 0.88 PIK3CD (0.38) PIK3CDHTR1AALDH1A1LMNAHTT
SCHEMBL12470100 0.88 PIK3CD (0.45) PIK3CDALDH1A1LMNAHTTL3MBTL1
SCHEMBL2017133 0.88 PIK3CD (0.48) PIK3CDALDH1A1LMNAHTTL3MBTL1

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 8 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

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 13/4885DRD4 3598/4885HTR1A 2024/4885

“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.