SCHEMBL3605618

SCHEMBL3605618

CC(C)(C)OC(=O)N1CC2=CN(Cc3nc(Cl)cc(N4CCOCC4)n3)CC2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
PIK3CA P42336 5/20 0.35
MTOR P42345 3/20 0.35
USP30 Q70CQ3 2/20 0.35
AKT1 P31749 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL3605615 0.81 KCNK3 (0.43) KMT2AUSP2SMN1; SMN2GPR119CYP1A2
SCHEMBL13142298 0.81 KCNK3 (0.43) KMT2AUSP2SMN1; SMN2GPR119CYP1A2
SCHEMBL994555 0.78 PIK3CD (0.46) PIK3CAMTORPIK3CDPIK3R1
SCHEMBL1194364 0.76 PIK3CD (0.37) USP2SMN1; SMN2GPR119PIK3CAMTOR
SCHEMBL1193876 0.76 PIK3CD (0.39) USP2SMN1; SMN2GPR119PIK3CAMTOR
SCHEMBL13119769 0.74 SMN1; SMN2 (0.43) KMT2AUSP2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3610408 0.74 RECQL (0.47) KMT2AUSP2SMN1; SMN2GPR119MAPT
SCHEMBL16094599 0.72 PIK3CD (0.44) KMT2AUSP2SMN1; SMN2GPR119CYP1A2
SCHEMBL3997637 0.72 PIK3CA (0.53) KMT2AUSP2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL18153347 0.72 PIK3CA (0.53) KMT2AUSP2SMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 KMT2A 3423/4885USP2 4533/4885SMN1; SMN2 1580/4885

“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.