SCHEMBL17560318

SCHEMBL17560318

COc1cccc(N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
CRHR1 P34998 3/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT1 P42224 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7229573 0.84 CCR1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29598182 0.83 NOS3 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17560548 0.82 NOS1 (0.47) SIGMAR1NOS1NPFFR1NPFFR2NPC1
SCHEMBL15142870 0.81 NPFFR1 (0.51) NOS3NOS1NOS2NPFFR1NPFFR2
SCHEMBL7043632 0.81 NPFFR1 (0.47) NPFFR1NPFFR2NPC1MAPTMAPK1
SCHEMBL7231945 0.79 BACE1 (0.37) NPFFR1NPFFR2LMNAHTTRAB9A
SCHEMBL30897411 0.79 CRHR1 (0.44) CRHR1NPFFR1NPFFR2NPC1MAPT
SCHEMBL17560319 0.79 RAB9A (0.48) NPC1LMNAMAPTMAPK1STAT1
SCHEMBL17560540 0.78 MAPT (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL281590 0.76 RAB9A (0.59) NPC1LMNAMAPTMAPK1STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK PIERRE FABRE MEDICAMENT (FR) 2019-06-18 US disclosed
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK PIERRE FABRE MEDICAMENT (FR) 2019-06-18 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
EP-3189061-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK Pierre Fabre Médicament (FR) 2017-07-12 EP disclosed
WO-2016034637-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO disclosed
WO-2016034637-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2016-03-10 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 (2 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-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK JAK2, JAK3, JAK1 HTR3E 3283/4885HTR3B 3600/4885HTR3A 3215/4885
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK JAK2, JAK3, JAK1 HTR3E 3283/4885HTR3B 3600/4885HTR3A 3215/4885

“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.