SCHEMBL2012992

SCHEMBL2012992

COC(=O)c1nc(C)c2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 7/20 0.39
STAT3 P40763 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
PLIN1 O60240 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
PLIN5 Q00G26 1/20 0.36
MCL1 Q07820 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
SCHEMBL12470043 0.80 MEN1 (0.40) MEN1KMT2ASMN1; SMN2KDM4ESTAT3
SCHEMBL26674524 0.78 KDM4E (0.45) MEN1KMT2ASMN1; SMN2KDM4ESTAT3
SCHEMBL30641377 0.78 KDM4E (0.45) MEN1KMT2ASMN1; SMN2KDM4ESTAT3
SCHEMBL31016823 0.76 MMP1 (0.34) MEN1KMT2AKDM4ESTAT3HIF1A
SCHEMBL29556135 0.75 L3MBTL1 (0.40) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL254145 0.74 HDAC3 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL29272665 0.74 CA12 (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL30989503 0.74 CA12 (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2015242 0.73 EGLN1 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13440420 0.73 MEN1 (0.49) MEN1KMT2ASMN1; SMN2KDM4ESTAT3

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 5 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-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
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 MEN1 4620/4885KMT2A 1147/4885SMN1; SMN2 4640/4885

“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.