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SCHEMBL3050656

SCHEMBL3050656

COc1nc(N)c2c(n1)CCN(c1ccc(CC(C)C)cc1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.35
▸ FAAH O00519 4/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ C5AR1 P21730 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ SLC29A1 Q99808 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL3713246 0.85 C5AR1 (0.39) DGAT1MGLLMCHR1C5AR1DPP4
SCHEMBL3051100 0.85 GRM5 (0.39) DGAT1GRM5XDHF10PDE4A
SCHEMBL3049791 0.83 KMT2A (0.37) DGAT1GRM5F2F10SLC29A1
SCHEMBL3048996 0.83 TLR7 (0.38) DGAT1F2F10SLC29A1
SCHEMBL3049759 0.83 DGAT1 (0.38) DGAT1F2F10
SCHEMBL3050243 0.83 DPP4 (0.39) DGAT1GRM5DPP4F10PDE4A
SCHEMBL3057537 0.83 DGAT1 (0.36) DGAT1GRM5DPP4F2F10
SCHEMBL3049764 0.83 GRM5 (0.37) DGAT1GRM5DPP4PDE4APDE4B
SCHEMBL3047616 0.81 DGAT1 (0.47) DGAT1F2F10
SCHEMBL3044973 0.81 DGAT1 (0.35) DGAT1GRM5F2F10SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 — — WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 — — US disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 — — US disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 — — US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 — — US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 — — 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 (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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR DGAT1 4223/4885FAAH 3680/4885MGLL 4853/4885
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC DGAT1 1107/4885FAAH 1258/4885MGLL 574/4885

“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.