SCHEMBL2016020

SCHEMBL2016020

CC(=O)c1ccc2cccnc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
EGLN1 Q9GZT9 6/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
KDR P35968 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL2718771 0.86 KDM4E (0.50) ALDH1A1EGLN1NPC1CASP3RAB9A
SCHEMBL15445451 0.84 ALDH1A1 (0.43) ALDH1A1EGLN1NPC1RAB9APARP1
SCHEMBL2017011 0.82 TRPM8 (0.41) ALDH1A1EGLN1CASP3KDRPARP1
SCHEMBL2014256 0.78 ALDH1A1 (0.44) ALDH1A1EGLN1NPC1RAB9ASLC40A1
SCHEMBL2588788 0.78 PARP1 (0.47) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL2011510 0.76 PIK3CD (0.45) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL2721112 0.75 ERN1 (0.43) ALDH1A1EGLN1NPC1RAB9ASLC40A1
SCHEMBL2718191 0.75 KDM4E (0.42) ALDH1A1EGLN1NPC1RAB9ALMNA
SCHEMBL253460 0.73 ALDH1A1 (0.73) ALDH1A1EGLN1
SCHEMBL13943232 0.73 ALDH1A1 (0.54) ALDH1A1EGLN1NPC1CASP3RAB9A

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 1920/4885NPC1 3274/4885

“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.