SCHEMBL871245

SCHEMBL871245

O=CN1CCCN(Cc2cc(O)ccc2-c2cccc(-n3c(=O)n([C@H]4CC[C@@H](NCc5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(F)cnc43)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.44
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL871246 1.00 PDE4B (0.44) PDE4BALDH1A1GAAKMT2ACYP3A4
SCHEMBL871272 0.94 PDE4B (0.47) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL871271 0.94 PDE4B (0.47) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL871720 0.91 PDE4B (0.55) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL871721 0.91 PDE4B (0.55) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL872881 0.91 PDE4B (0.43) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL872882 0.91 PDE4B (0.43) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL871527 0.91 PDE4B (0.44) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL871395 0.91 PDE4B (0.51) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL871396 0.91 PDE4B (0.51) 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 9 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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US 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-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 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
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 2/4885ALDH1A1 331/4885GAA 233/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885ALDH1A1 331/4885GAA 233/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885ALDH1A1 295/4885GAA 337/4885

“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.