SCHEMBL871187

SCHEMBL871187

CN(C)Cc1ccccc1-c1cccc(-n2c(=O)n(C3CCC(NC(=O)[C@H]4CCCN4C)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.38
MELK Q14680 2/20 0.35
BACE1 P56817 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM3 P20309 2/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32

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
SCHEMBL871186 1.00 PDE4B (0.38) PDE4BMELKBACE1CYP3A4CYP2C19
SCHEMBL3030829 0.89 PDE4B (0.40) PDE4BCYP3A4CYP2C19KDM4ECYP1A2
SCHEMBL3030831 0.89 PDE4B (0.40) PDE4BCYP3A4CYP2C19KDM4ECYP1A2
SCHEMBL10272127 0.85 PDE4B (0.38) PDE4BCYP3A4CYP2C19KDM4ECYP1A2
SCHEMBL871893 0.84 MELK (0.37) PDE4BMELKTNFLITAF
SCHEMBL871894 0.84 MELK (0.37) PDE4BMELKTNFLITAF
SCHEMBL16087370 0.83 BACE1 (0.35) PDE4BBACE1CYP3A4CYP2C19KDM4E
SCHEMBL8169887 0.83 METAP2 (0.36) PDE4BBACE1CYP3A4CYP2C19KDM4E
SCHEMBL870394 0.82 PDE4B (0.56) PDE4BCNR1CNR2
SCHEMBL870393 0.82 PDE4B (0.56) PDE4BCNR1CNR2

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 2/4885MELK 4396/4885BACE1 1777/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885MELK 4396/4885BACE1 1777/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885MELK 4055/4885BACE1 1626/4885

“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.