SCHEMBL10070076

SCHEMBL10070076

Cc1ncccc1OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)n[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.44
HTR2B P41595 2/20 0.43
P2RY12 Q9H244 1/20 0.40
HSD11B1 P28845 1/20 0.40
PDK2 Q15119 1/20 0.40
NAMPT P43490 2/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KCNH2 Q12809 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
AOC3 Q16853 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 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
SCHEMBL10070550 0.93 CPT1A (0.40) KITHTR2BP2RY12HSD11B1NAMPT
SCHEMBL10070539 0.93 P2RY12 (0.47) HTR2BP2RY12HSD11B1GPR119MGLL
SCHEMBL10070552 0.92 HTR2B (0.43) HTR2BP2RY12HSD11B1TLR9TLR8
SCHEMBL10070517 0.91 TRPV1 (0.42) HTR2BP2RY12HSD11B1TLR9TLR8
SCHEMBL10070536 0.91 CPT1A (0.46) KITHTR2BP2RY12HSD11B1TLR9
SCHEMBL10070106 0.91 CPT1A (0.46) KITHTR2BP2RY12HSD11B1TLR9
SCHEMBL10070549 0.88 KIT (0.44) KITHTR2BP2RY12HSD11B1PDK2
SCHEMBL10070556 0.88 HCRTR1 (0.42) AKT1AKT2AOC3
SCHEMBL10070107 0.88 AKT1 (0.42) AKT1AKT2
SCHEMBL1654836 0.87 CPT2 (0.46) AKT1AKT2TP53

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
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
EP-2308869-A1 AZOLE COMPOUND Astellas Pharma Inc. (JP) 2011-04-13 EP disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 KIT 681/4885HTR2B 2418/4885P2RY12 139/4885

“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.