SCHEMBL2015013

SCHEMBL2015013

CON(C)C(=O)c1cc(Cl)c2cccnc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALOX12 P18054 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CCR6 P51684 1/20 0.39
GAA P10253 1/20 0.39
HSP90AA1 P07900 3/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2015940 0.85 HIF1A (0.49) HIF1AKDM4EALDH1A1LMNAHTT
SCHEMBL2013025 0.81 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2014967 0.78 KMT2A (0.54) HIF1AKDM4EALDH1A1LMNAHTT
SCHEMBL2013802 0.76 KDM4E (0.40) HIF1AKDM4EALDH1A1LMNAHTT
SCHEMBL2014820 0.75 TRPM8 (0.44) HIF1AKDM4EALDH1A1LMNAHTT
SCHEMBL2015964 0.73 BRD4 (0.46) HIF1AKDM4EHTTPDE4APDE4C
SCHEMBL2014903 0.73 L3MBTL1 (0.41) HIF1AKDM4EALDH1A1LMNAALOX12
SCHEMBL21902372 0.73 KDM4E (0.44) KDM4EALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL2015993 0.69 SLC40A1 (0.44) HIF1AKDM4EALDH1A1LMNAHTT
SCHEMBL2014981 0.69 KMT2A (0.42) KDM4EALDH1A1LMNAHTTSMN1; 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 HIF1A 2107/4885KDM4E 1058/4885ALDH1A1 3722/4885

“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.