SCHEMBL3751306

SCHEMBL3751306

CC(C)(C)OC(=O)N1CCC(CCn2cnc3c(N)ncnc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
PIK3CD O00329 1/20 0.50
ADCY5 O95622 4/20 0.49
ADORA2A P29274 4/20 0.48
ADORA1 P30542 2/20 0.48
ADORA2B P29275 1/20 0.48
MAP4K4 O95819 1/20 0.48
TGFBR1 P36897 1/20 0.46
SRC P12931 2/20 0.45
EGFR P00533 1/20 0.45
SLC22A6 Q4U2R8 2/20 0.45
FGFR1 P11362 1/20 0.45
ABCB11 O95342 1/20 0.45
POLA1 P09884 1/20 0.45
POLG P54098 1/20 0.45
FAP Q12884 1/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL28401089 0.91 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBPIK3CD
SCHEMBL3520144 0.86 ADORA2A (0.53) PI4KAPI4K2BPI4K2API4KBADCY5
SCHEMBL3740474 0.82 GPR119 (0.44) TGFBR1FAAH
SCHEMBL869772 0.82 SRC (0.49) TGFBR1SRCEGFRFGFR1FAAH
SCHEMBL3750043 0.82 HSP90AA1 (0.51) ADORA2AADORA1ADORA2B
SCHEMBL13731483 0.81 ADORA2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3516021 0.81 ADORA2A (0.60) PI4KAPI4K2BPI4K2API4KBPIK3CD
SCHEMBL20972819 0.79 ADORA2A (0.53) ADCY5ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL3520367 0.78 ADORA2A (0.51) PI4KAPI4K2BPI4K2API4KBADCY5
SCHEMBL948286 0.78 FAAH (0.49) FAAH

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
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US claimed
WO-2012148550-A1 PRODRUGS OF THERAPEUTIC COMPOUNDS MYREXIS, INC. (US) 2012-11-01 WO disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR PI4KA 3443/4885PI4K2B 4075/4885PI4K2A 3630/4885

“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.