SCHEMBL3023140

SCHEMBL3023140

O=C(O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCC(N6CCCCC6)CC5)cc4)c3)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.47
ACVR1 Q04771 1/20 0.40
AVPR1B P47901 2/20 0.39
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 1/20 0.38
PRKAA2 P54646 2/20 0.37
ADRB2 P07550 1/20 0.37
ACKR3 P25106 2/20 0.36
TP53 P04637 1/20 0.36
WNT1 P04628 1/20 0.35
DYRK1A Q13627 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
SCHEMBL3029961 0.94 PDE4B (0.43) PDE4BAVPR1BDRD2DRD4PRKAA2
SCHEMBL3029957 0.94 PDE4B (0.43) PDE4BAVPR1BDRD2DRD4PRKAA2
SCHEMBL871460 0.91 PDE4B (0.51) PDE4BACVR1AXLMERTKPRKAA2
SCHEMBL870227 0.91 PDE4B (0.51) PDE4BACVR1AXLMERTKPRKAA2
SCHEMBL8185505 0.90 PDE4B (0.46) PDE4BACVR1AXLMERTKTP53
SCHEMBL10271670 0.90 PDE4B (0.46) PDE4BACVR1AXLMERTKTP53
SCHEMBL870632 0.90 PDE4B (0.58) PDE4BACVR1AXLMERTKPRKAA2
SCHEMBL8183286 0.90 PDE4B (0.58) PDE4BACVR1AXLMERTKPRKAA2
SCHEMBL869994 0.89 PDE4B (0.59) PDE4BACVR1AXLMERTKPRKAA2
SCHEMBL3027701 0.89 PDE4B (0.59) PDE4BACVR1AXLMERTKPRKAA2

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 PDE4B 2/4885ACVR1 1110/4885AVPR1B 1234/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885ACVR1 551/4885AVPR1B 1852/4885

“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.