SCHEMBL3118565

SCHEMBL3118565

O=C(O)N1CCc2nc(-c3ccccc3)nc(O)c2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 7/20 0.50
PDE10A Q9Y233 9/20 0.47
PDE5A O76074 1/20 0.42
PDE6A P16499 1/20 0.42
PDE4A P27815 1/20 0.42
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3119582 0.84 PDE10A (0.54) MTHFD2PDE10A
SCHEMBL3122533 0.79
SCHEMBL15001936 0.79 PDE10A (0.41) MTHFD2PDE10APDE5APDE6APDE4A
SCHEMBL27007528 0.77 P2RX7 (0.46) MTHFD2PDE10ATSHR
SCHEMBL3116963 0.77 CYP2C19 (0.41) MTHFD2PDE10A
SCHEMBL16010695 0.75 KCNK3 (0.50) PDE10A
SCHEMBL19664912 0.75 TNKS2 (0.51)
SCHEMBL25438364 0.75 MTOR (0.48) PDE10A
SCHEMBL4805235 0.74 LMNA (0.52)
SCHEMBL27013361 0.74 LMNA (0.56) TSHR

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-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 MTHFD2 1458/4885PDE10A 2712/4885PDE5A 1391/4885

“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.