SCHEMBL3018666

SCHEMBL3018666

CC(C)[C@H](NC(=O)O)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 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.39
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 5/20 0.36
AXL P30530 2/20 0.35
FLT3 P36888 2/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 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
CHKA P35790 1/20 0.35
SLC2A1 P11166 2/20 0.35
ADRB2 P07550 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
SCHEMBL3018676 1.00 AVPR1B (0.39) AVPR1BCYP2C19SMN1; SMN2PDE4BAXL
SCHEMBL3027277 1.00 AVPR1B (0.39) AVPR1BCYP2C19SMN1; SMN2PDE4BAXL
SCHEMBL3027272 1.00 AVPR1B (0.39) AVPR1BCYP2C19SMN1; SMN2PDE4BAXL
SCHEMBL8178573 0.92 AXL (0.35) AVPR1BCYP2C19SMN1; SMN2PDE4BAXL
SCHEMBL8170677 0.92 AXL (0.35) AVPR1BCYP2C19SMN1; SMN2PDE4BAXL
SCHEMBL16104347 0.92 AXL (0.36) AVPR1BCYP2C19SMN1; SMN2PDE4BAXL
SCHEMBL10271900 0.92 AXL (0.35) AVPR1BCYP2C19SMN1; SMN2PDE4BAXL
SCHEMBL10271513 0.92 AXL (0.35) AVPR1BCYP2C19SMN1; SMN2PDE4BAXL
SCHEMBL3030807 0.91 AVPR1B (0.41) AVPR1BPDE4BAXLFLT3TYRO3
SCHEMBL3030814 0.91 AVPR1B (0.41) AVPR1BPDE4BAXLFLT3TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP 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

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-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B AVPR1B 1234/4885CYP2C19 332/4885SMN1; SMN2 2231/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A AVPR1B 1852/4885CYP2C19 180/4885SMN1; SMN2 1660/4885

“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.