SCHEMBL3023445

SCHEMBL3023445

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4cccc(CN5CCCCC5)c4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.47
AVPR1B P47901 4/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACKR3 P25106 3/20 0.38
PRKAA2 P54646 2/20 0.37
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL870415 1.00 PDE4B (0.47) PDE4BAVPR1BKDM4ESMN1; SMN2HSD17B10
SCHEMBL3022367 0.94 PDE4B (0.50) PDE4BAVPR1BKDM4ESMN1; SMN2HSD17B10
SCHEMBL871828 0.94 PDE4B (0.50) PDE4BAVPR1BKDM4ESMN1; SMN2HSD17B10
SCHEMBL872783 0.91 PDE4B (0.45) PDE4BAVPR1BKDM4ESMN1; SMN2HSD17B10
SCHEMBL872784 0.91 PDE4B (0.45) PDE4BAVPR1BKDM4ESMN1; SMN2HSD17B10
SCHEMBL524053 0.90 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10ACKR3
SCHEMBL871997 0.90 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL3017025 0.90 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL3032431 0.90 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL524054 0.90 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885AVPR1B 1234/4885KDM4E 1494/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885AVPR1B 1852/4885KDM4E 525/4885

“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.