SCHEMBL871768

SCHEMBL871768

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCN(C6CCCC6)CC5)cc4)c3)c2=O)CC1)c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.45
ACKR3 P25106 1/20 0.41
UTS2R Q9UKP6 1/20 0.39
PRKAA2 P54646 5/20 0.38
CYP3A4 P08684 1/20 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
SCHEMBL871767 1.00 PDE4B (0.45) PDE4BACKR3UTS2RPRKAA2CYP3A4
SCHEMBL871179 0.91 PDE4B (0.46) PDE4BACKR3PRKAA2CYP3A4
SCHEMBL871178 0.91 PDE4B (0.46) PDE4BACKR3PRKAA2CYP3A4
SCHEMBL3029957 0.90 PDE4B (0.43) PDE4BACKR3PRKAA2
SCHEMBL3029961 0.90 PDE4B (0.43) PDE4BACKR3PRKAA2
SCHEMBL869866 0.89 PDE4B (0.47) PDE4BACKR3PRKAA2CYP3A4
SCHEMBL869865 0.89 PDE4B (0.47) PDE4BACKR3PRKAA2CYP3A4
SCHEMBL870834 0.89 PDE4B (0.53) PDE4BPRKAA2CYP3A4
SCHEMBL3023564 0.89 PDE4B (0.53) PDE4BPRKAA2CYP3A4
SCHEMBL871170 0.87 PDE4B (0.47) PDE4BACKR3PRKAA2CYP3A4WNT1

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 4 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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885ACKR3 684/4885UTS2R 1925/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885ACKR3 684/4885UTS2R 1925/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885ACKR3 1691/4885UTS2R 2368/4885

“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.