SCHEMBL2016663

SCHEMBL2016663

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
MPI P34949 1/20 0.44
PIK3CD O00329 3/20 0.44
L3MBTL1 Q9Y468 5/20 0.37
ALOX12 P18054 1/20 0.37
ESR2 Q92731 1/20 0.37
METAP2 P50579 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 5/20 0.36
PPP1CA P62136 1/20 0.36
PSMD14 O00487 1/20 0.36
MMP2 P08253 1/20 0.36
MCL1 Q07820 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 SCHEMBL2040790 0.93 PIK3CD (0.41) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2017829 0.91 PIK3CD (0.43) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL12631373 0.88 PIK3CD (0.49) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2163159 0.88 PIK3CD (0.43) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2012187 0.87 PIK3CD (0.43) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2018067 0.87 PIK3CD (0.44) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2164764 0.87 PIK3CD (0.42) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2017049 0.87 PIK3CD (0.46) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2015619 0.85 PIK3CD (0.42) KDM4ELMNAMAPTALDH1A1HTT
SCHEMBL2013639 0.85 PIK3CD (0.45) KDM4ELMNAMAPTALDH1A1HTT

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 KDM4E 1058/4885LMNA 4440/4885MAPT 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.