SCHEMBL3022367

SCHEMBL3022367

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4cccc(CN5CCOCC5)c4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.50
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AVPR1B P47901 1/20 0.38
ACKR3 P25106 1/20 0.37
JAK1 P23458 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRKAA2 P54646 1/20 0.36

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
SCHEMBL871828 1.00 PDE4B (0.50) PDE4BCNR1CNR2KDM4ESMN1; SMN2
SCHEMBL871997 0.96 PDE4B (0.51) PDE4BCNR1CNR2KDM4ESMN1; SMN2
SCHEMBL3017025 0.96 PDE4B (0.51) PDE4BCNR1CNR2KDM4ESMN1; SMN2
SCHEMBL3023445 0.94 PDE4B (0.47) PDE4BKDM4ESMN1; SMN2HSD17B10AVPR1B
SCHEMBL870415 0.94 PDE4B (0.47) PDE4BKDM4ESMN1; SMN2HSD17B10AVPR1B
SCHEMBL871250 0.91 PDE4B (0.55) PDE4BCNR1CNR2CYP3A4CYP2C9
SCHEMBL3029550 0.91 PDE4B (0.55) PDE4BCNR1CNR2CYP3A4CYP2C9
SCHEMBL870875 0.91 PDE4B (0.46) PDE4BCNR1CNR2
SCHEMBL870876 0.91 PDE4B (0.46) PDE4BCNR1CNR2
SCHEMBL870422 0.90 PDE4B (0.64) PDE4BCYP3A4CYP2C9CYP2C19KCNH2

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 2/4885CNR1 2027/4885CNR2 2229/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CNR1 3560/4885CNR2 3682/4885

“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.