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Sugi Predict / Compounds / SCHEMBL10271900

SCHEMBL10271900

SCHEMBL10271900

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCN(C)CC5)cc4)c3)c2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 3/20 0.35
▸ FLT3 P36888 3/20 0.35
▸ TYRO3 Q06418 3/20 0.35
▸ MERTK Q12866 3/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ MELK Q14680 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ PDE4B Q07343 6/20 0.35
▸ AVPR1B P47901 4/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ SLC2A1 P11166 2/20 0.33
▸ CHKA P35790 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL8170677 1.00 AXL (0.35) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL8178573 1.00 AXL (0.35) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL10271513 1.00 AXL (0.35) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL3018666 0.92 AVPR1B (0.39) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL3027277 0.92 AVPR1B (0.39) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL3027272 0.92 AVPR1B (0.39) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL3018676 0.92 AVPR1B (0.39) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL10272053 0.92 PARP1 (0.38) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL8193271 0.92 PARP1 (0.38) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL8176962 0.91 SCN9A (0.38) AVPR1BSLC2A1TP53

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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 — — US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 — — US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 — — US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 — — US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 — — 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B AXL 4262/4885FLT3 3213/4885TYRO3 3353/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B AXL 4262/4885FLT3 3213/4885TYRO3 3353/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A AXL 3281/4885FLT3 2839/4885TYRO3 3522/4885

“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.