SCHEMBL3029437

SCHEMBL3029437

CN1CCCN(Cc2ccc(-c3cccc(-n4c(=O)n(C5CCC(NC(=O)C(C)(C)NC(=O)O)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 3/20 0.38
PDE4B Q07343 6/20 0.37
SLC2A1 P11166 3/20 0.36
CHKA P35790 3/20 0.36
ADRB2 P07550 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
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
SSTR4 P31391 1/20 0.35

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
SCHEMBL3029429 1.00 AVPR1B (0.38) AVPR1BPDE4BSLC2A1CHKAADRB2
SCHEMBL8184886 0.93 PDE4B (0.36) AVPR1BPDE4BSLC2A1CHKAAXL
SCHEMBL10271618 0.93 PDE4B (0.36) AVPR1BPDE4BSLC2A1CHKAAXL
SCHEMBL8187089 0.93 PDE4B (0.38) AVPR1BPDE4BSLC2A1CHKAADRB2
SCHEMBL870597 0.93 PDE4B (0.38) AVPR1BPDE4BSLC2A1CHKAADRB2
SCHEMBL3030807 0.93 AVPR1B (0.41) AVPR1BPDE4BSLC2A1CHKAADRB2
SCHEMBL3030814 0.93 AVPR1B (0.41) AVPR1BPDE4BSLC2A1CHKAADRB2
Hydrochloric Acid SCHEMBL16087421 0.92 PDE4B (0.38) AVPR1BPDE4BSLC2A1CHKAADRB2
Hydrochloric Acid SCHEMBL16087420 0.92 PDE4B (0.38) AVPR1BPDE4BSLC2A1CHKAPDE4A
SCHEMBL870647 0.91 AVPR1B (0.36) AVPR1BPDE4BSLC2A1CHKAPDE4A

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 1234/4885PDE4B 2/4885SLC2A1 3666/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A AVPR1B 1852/4885PDE4B 2/4885SLC2A1 3895/4885

“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.