SCHEMBL872784

SCHEMBL872784

NCc1cccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)c5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(F)cnc43)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.45
HPGDS O60760 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
KCNH2 Q12809 2/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AVPR1B P47901 1/20 0.33
CNR2 P34972 1/20 0.33
DPP4 P27487 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL872783 1.00 PDE4B (0.45) PDE4BHPGDSEGLN1KCNH2PDE4D
SCHEMBL871390 0.96 PDE4B (0.49) PDE4BHPGDSEGLN1KCNH2PDE4D
SCHEMBL871391 0.96 PDE4B (0.49) PDE4BHPGDSEGLN1KCNH2PDE4D
Hydrochloric Acid SCHEMBL3026834 0.95 PDE4B (0.49) PDE4BHPGDSEGLN1KCNH2PDE4D
Hydrochloric Acid SCHEMBL3026833 0.95 PDE4B (0.49) PDE4BHPGDSEGLN1KCNH2PDE4D
SCHEMBL870786 0.92 PDE4B (0.46) PDE4BHPGDSEGLN1KCNH2PDE4D
SCHEMBL870787 0.92 PDE4B (0.46) PDE4BHPGDSEGLN1KCNH2PDE4D
SCHEMBL870870 0.92 PDE4B (0.50) PDE4BHPGDSKDM4ESMN1; SMN2HSD17B10
SCHEMBL3011847 0.92 PDE4B (0.50) PDE4BHPGDSKDM4ESMN1; SMN2HSD17B10
SCHEMBL3032496 0.92 PDE4B (0.44) PDE4BHPGDSEGLN1KCNH2PDE4D

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 2/4885HPGDS 351/4885EGLN1 1901/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885HPGDS 351/4885EGLN1 1901/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885HPGDS 784/4885EGLN1 1768/4885

“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.