SCHEMBL2013025

SCHEMBL2013025

CON(C)C(=O)c1ccc2cccnc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
EGLN1 Q9GZT9 6/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX12 P18054 2/20 0.36
SLC40A1 Q9NP59 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MLYCD O95822 1/20 0.35

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
SCHEMBL2718494 0.84 SLC40A1 (0.47) ALDH1A1PDE4APDE4CPDE4DEGLN1
SCHEMBL19358748 0.84 ALDH1A1 (0.54) ALDH1A1PDE4APDE4CPDE4DLMNA
SCHEMBL2015013 0.81 HIF1A (0.44) ALDH1A1PDE4APDE4CPDE4DLMNA
SCHEMBL2013023 0.79 EGLN1 (0.46) ALDH1A1EGLN1
SCHEMBL643192 0.76 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1EGLN1KDM4E
SCHEMBL2017299 0.76 ALDH1A1 (0.60) ALDH1A1EGLN1
SCHEMBL3922378 0.74 PARP1 (0.55) ALDH1A1LMNAL3MBTL1KDM4EALOX12
SCHEMBL4149669 0.74 PDE4A (0.50) PDE4APDE4CPDE4DLMNAKDM4E
SCHEMBL18318080 0.74 PDE4A (0.45) ALDH1A1PDE4APDE4CPDE4DLMNA
SCHEMBL21358355 0.71 L3MBTL1 (0.46) L3MBTL1KDM4EMAPTHTTMLYCD

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 ALDH1A1 3722/4885PDE4A 2583/4885PDE4C 3044/4885

“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.