SCHEMBL9958878

SCHEMBL9958878

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ncc(F)cc3F)c3cc(F)c(OC)cc23)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.57
AXL P30530 7/20 0.35
AURKA O14965 3/20 0.35
AURKB Q96GD4 3/20 0.35
DDR1 Q08345 2/20 0.35
PDGFRA P16234 3/20 0.33
ADORA2A P29274 1/20 0.33
MET P08581 6/20 0.32
KIT P10721 3/20 0.32
KDR P35968 3/20 0.32
STK10 O94804 1/20 0.32
NTRK1 P04629 1/20 0.32
CDK11B P21127 1/20 0.32
FLT3 P36888 1/20 0.32
BLK P51451 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
MAP2K5 Q13163 1/20 0.32
NTRK2 Q16620 1/20 0.32
DDR2 Q16832 1/20 0.32

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
SCHEMBL9959332 0.92 FAAH (0.61) FAAHAXLAURKAAURKBDDR1
SCHEMBL9959648 0.90 FAAH (0.70) FAAHAXLSCN10ASORT1
SCHEMBL9958533 0.89 FAAH (0.61) FAAH
SCHEMBL9953581 0.88 FAAH (0.60) FAAHAXLAURKAAURKBDDR1
SCHEMBL10234721 0.88 FAAH (0.57) FAAHAXLAURKAAURKBDDR1
SCHEMBL9958930 0.87 FAAH (0.60) FAAHPDGFRAKDRSCN10AP2RX3
SCHEMBL9959333 0.85 FAAH (0.77) FAAHAXLAURKAAURKBDDR1
SCHEMBL9952229 0.85 FAAH (0.56) FAAHAXLAURKAAURKBDDR1
SCHEMBL9952749 0.84 FAAH (0.64) FAAHAXLMETNTRK1SCN10A
SCHEMBL9960022 0.84 FAAH (0.58) FAAHAXLAURKAAURKBDDR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
WO-2014004676-A1 USE OF FAAH INHIBITORS AS NEUROPROTECTIVE AGENTS IN THE CNS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-01-03 WO disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 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-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 FAAH 1/4885AXL 4046/4885AURKA 4547/4885

“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.