SCHEMBL2014256

SCHEMBL2014256

CC(=O)c1ccc2cccnc2c1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
EGLN1 Q9GZT9 6/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
CCR1 P32246 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
SCHEMBL2015077 0.82 ALDH1A1 (0.39) ALDH1A1EGLN1LMNAKDM4EMAPT
SCHEMBL2016020 0.78 ALDH1A1 (0.44) ALDH1A1EGLN1LMNAKDM4EMAPT
SCHEMBL2017970 0.77 KDM4E (0.44) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL2010930 0.76 TP53 (0.44) LMNAKDM4EMAPTHTTSMN1; SMN2
Phenanthroline SCHEMBL28097109 0.74 LMNA (0.73) ALDH1A1EGLN1LMNAKDM4EMAPT
SCHEMBL11973430 0.73 LMNA (0.56) ALDH1A1EGLN1LMNAKDM4EMAPT
SCHEMBL13943232 0.73 ALDH1A1 (0.54) ALDH1A1EGLN1LMNAKDM4EMAPT
SCHEMBL253460 0.73 ALDH1A1 (0.73) ALDH1A1EGLN1
SCHEMBL2010932 0.73 KDM4E (0.43) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL2016905 0.73 TP53 (0.43) LMNAKDM4EMAPTHTTSMN1; 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 ALDH1A1 3722/4885EGLN1 1920/4885LMNA 4440/4885

“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.