SCHEMBL2017230

SCHEMBL2017230

CC(N)c1cc(Cl)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.58
BCL2 P10415 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.42
ALOX12 P18054 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.40
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MCL1 Q07820 1/20 0.39
MMP14 P50281 1/20 0.39
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL2014786 0.88 PIK3CD (0.46) PIK3CDBCL2L3MBTL1ALOX12NPC1
SCHEMBL2013014 0.87 PIK3CD (0.45) PIK3CDBCL2ADAMTS5CCR1CCR8
SCHEMBL2163803 0.85 BCL2 (0.60) PIK3CDBCL2KDM4E
SCHEMBL2017233 0.85 BCL2 (0.60) PIK3CDBCL2KDM4E
SCHEMBL2017433 0.84 PIK3CD (0.43) PIK3CDBCL2L3MBTL1KDM4ECDC7
SCHEMBL2013331 0.83 PIK3CD (0.44) PIK3CDBCL2CDC7ROCK2MAP4K4
SCHEMBL2163817 0.82 PIK3CD (0.40) PIK3CDBCL2KDM4E
SCHEMBL2037421 0.80 BCL2 (0.41) PIK3CDBCL2
SCHEMBL2015740 0.80 L3MBTL1 (0.43) L3MBTL1ALOX12NPC1RAB9ANCOA3
SCHEMBL2011258 0.79 PIK3CD (0.56) PIK3CDCCR1CCR8KDM4E

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 3 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 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 13/4885BCL2 1174/4885L3MBTL1 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.