SCHEMBL2015805

SCHEMBL2015805

CC(O)c1ccc2cccnc2c1-c1cncc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
MDM2 Q00987 3/20 0.37
P4HB P07237 3/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 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
SCHEMBL2013339 0.88 PIK3CD (0.43) PIK3CDMDM2P4HBCCR1CCR5
SCHEMBL2011510 0.87 PIK3CD (0.45) PIK3CDMDM2P4HBCCR1CCR5
SCHEMBL2012263 0.85 PIK3CD (0.56) PIK3CDMDM2P4HBCCR1CCR5
SCHEMBL2015807 0.76 MAPK14 (0.36) CCR1CCR5CCR8KDM4ENPC1
SCHEMBL2014810 0.75 PIK3CD (0.62) PIK3CD
SCHEMBL2010930 0.74 TP53 (0.44) MDM2P4HBCCR1CCR5CCR8
SCHEMBL2011833 0.74 PIK3CD (0.45) PIK3CDMDM2P4HBCCR1CCR5
SCHEMBL2013343 0.73 KDM4E (0.36) CCR1CCR5CCR8KDM4ENPC1
SCHEMBL2011258 0.72 PIK3CD (0.56) PIK3CDP4HBCCR1CCR5CCR8
SCHEMBL15139973 0.71 CCR1 (0.41) P4HBCCR1CCR5CCR8KDM4E

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 13/4885MDM2 1308/4885P4HB 3108/4885

“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.