SCHEMBL2011510

SCHEMBL2011510

CC(O)c1ccc2cccnc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
HSP90AA1 P07900 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL2012263 0.90 PIK3CD (0.56) PIK3CDHSP90AA1TP53MAPTSMN1; SMN2
SCHEMBL2015805 0.87 PIK3CD (0.43) PIK3CDHSP90AA1TP53MAPTSMN1; SMN2
SCHEMBL2011833 0.86 PIK3CD (0.45) PIK3CDHSP90AA1TP53MAPTSMN1; SMN2
SCHEMBL2010930 0.78 TP53 (0.44) HSP90AA1TP53MAPTSMN1; SMN2CCR1
SCHEMBL15139973 0.78 CCR1 (0.41) HSP90AA1TP53MAPTSMN1; SMN2CCR1
SCHEMBL2721578 0.77 PIK3CD (0.45) PIK3CDHSP90AA1TP53MAPTSMN1; SMN2
SCHEMBL2011258 0.76 PIK3CD (0.56) PIK3CDHSP90AA1TP53MAPTSMN1; SMN2
SCHEMBL2016020 0.76 ALDH1A1 (0.44) HSP90AA1TP53MAPTSMN1; SMN2CCR1
SCHEMBL2718191 0.75 KDM4E (0.42) HSP90AA1TP53MAPTSMN1; SMN2CCR1
SCHEMBL2013339 0.74 PIK3CD (0.43) PIK3CDHSP90AA1TP53MAPTSMN1; SMN2

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 13/4885HSP90AA1 2458/4885TP53 768/4885

“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.