SCHEMBL3102345

SCHEMBL3102345

COc1nc2c(c(OS(=O)(=O)c3ccc(C)cc3)n1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 2/20 0.37
MMP13 P45452 1/20 0.37
C5AR1 P21730 1/20 0.37
ESR2 Q92731 1/20 0.36
CYP2C19 P33261 1/20 0.36
F12 P00748 1/20 0.36
STS P08842 1/20 0.36
MTOR P42345 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KIT P10721 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
GCK P35557 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL2455910 0.90 GPR119 (0.41) MAPTMEN1KMT2AP2RX7MMP13
SCHEMBL13246140 0.88 CYP2C19 (0.41) MAPTMEN1KMT2AP2RX7MMP13
SCHEMBL3107419 0.88 CYP2C19 (0.39) MAPTCYP2C19PDE10A
SCHEMBL3120326 0.85 PDE10A (0.46) MAPTP2RX7MMP13C5AR1MTOR
SCHEMBL3109695 0.75 MAPT (0.44) MAPTC5AR1ESR2F12MTOR
SCHEMBL3108965 0.75 CYP2C19 (0.44) CYP2C19PDE10A
SCHEMBL21041449 0.74 MAPT (0.41) MAPTMTORPDE10AGPR119
SCHEMBL3111451 0.73 PDE10A (0.48) MEN1KMT2ACYP2C19PDE10ANR1H2
SCHEMBL3106590 0.73 C5AR1 (0.44) MAPTC5AR1PDE10APARP1TNKS2
SCHEMBL21713244 0.71 KMT2A (0.44) MAPTMEN1KMT2AP2RX7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179173-A1 SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2010-07-15 US disclosed
US-20100179173-A1 SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2010-07-15 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-20100179173-A1 SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR35, GPR55 MAPT 4632/4885MEN1 4745/4885KMT2A 4153/4885

“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.