SCHEMBL869755

SCHEMBL869755

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(CCc3ccccc3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MAPT P10636 1/20 0.38
TNKS O95271 1/20 0.37
CNR2 P34972 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CNR1 P21554 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL869754 1.00 PDE4B (0.46) PDE4BMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL869699 0.86 PDE4B (0.45) PDE4BSMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL869698 0.86 PDE4B (0.45) PDE4BSMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL870831 0.86 PDE4B (0.45) PDE4BCNR2POLBCNR1
SCHEMBL870830 0.86 PDE4B (0.45) PDE4BCNR2POLBCNR1
SCHEMBL871612 0.84 PDE4B (0.42) PDE4BMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL871613 0.84 PDE4B (0.42) PDE4BMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL870642 0.83 NPC1 (0.45) PDE4BSMN1; SMN2KDM4EHSD17B10TNKS
SCHEMBL870641 0.83 NPC1 (0.45) PDE4BSMN1; SMN2KDM4EHSD17B10TNKS
SCHEMBL871859 0.83 PDE4B (0.48) PDE4BSMN1; SMN2KDM4EHSD17B10TNKS

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 2/4885MEN1 2567/4885KMT2A 3697/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885MEN1 2567/4885KMT2A 3697/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885MEN1 1966/4885KMT2A 2669/4885

“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.