SCHEMBL2017970

SCHEMBL2017970

CC(=O)c1cc(Cl)c2cccnc2c1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
ALOX12 P18054 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSP90AA1 P07900 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15B O15296 1/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HTR1A P08908 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL2013802 0.83 KDM4E (0.40) KDM4EL3MBTL1CCR1CCR8ALOX12
SCHEMBL2015003 0.80 PIK3CD (0.46) KDM4EL3MBTL1CCR1CCR8ALOX12
SCHEMBL2015201 0.78 L3MBTL1 (0.46) KDM4EL3MBTL1CCR1CCR8ALOX12
SCHEMBL2014256 0.77 ALDH1A1 (0.44) KDM4EL3MBTL1CCR1CCR8ALOX12
SCHEMBL2014457 0.76 ALOX12 (0.64) KDM4EL3MBTL1ALOX12TDP1CYP3A4
SCHEMBL2015740 0.76 L3MBTL1 (0.43) KDM4EL3MBTL1CCR1CCR8ALOX12
SCHEMBL2015203 0.76 CDK1 (0.46) KDM4EL3MBTL1CCR1CCR8ALOX12
SCHEMBL2017973 0.75 L3MBTL1 (0.43) KDM4EL3MBTL1CCR1CCR8ALOX12
SCHEMBL2015741 0.74 L3MBTL1 (0.44) KDM4EL3MBTL1CCR1CCR8ALOX12
SCHEMBL8345105 0.74 KDM4E (0.60) KDM4EL3MBTL1CCR1CCR8ALOX12

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 KDM4E 1058/4885L3MBTL1 2960/4885CCR1 601/4885

“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.