SCHEMBL872091

SCHEMBL872091

O=C(NC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(OCCN3CCOCC3)c2)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.57
EGFR P00533 3/20 0.49
SYK P43405 2/20 0.49
BTK Q06187 1/20 0.49
ITK Q08881 2/20 0.47
EPHX2 P34913 3/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
JAK2 O60674 1/20 0.43
NTRK1 P04629 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIK1 P57059 1/20 0.42
SIK2 Q9H0K1 1/20 0.42
SIK3 Q9Y2K2 1/20 0.42

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
SCHEMBL872090 1.00 PDE4B (0.57) PDE4BEGFRSYKBTKITK
SCHEMBL3018694 0.87 SYK (0.53) PDE4BEGFRSYKBTKITK
SCHEMBL3018688 0.87 SYK (0.53) PDE4BEGFRSYKBTKITK
SCHEMBL872012 0.87 EGFR (0.53) PDE4BEGFRSYKBTKITK
SCHEMBL872011 0.87 EGFR (0.53) PDE4BEGFRSYKBTKITK
SCHEMBL10272050 0.83 EGFR (0.49) PDE4BEGFRSYKBTKITK
SCHEMBL870222 0.82 PDE4B (0.50) PDE4BEGFRBTKITK
SCHEMBL870221 0.82 PDE4B (0.50) PDE4BEGFRBTKITK
SCHEMBL870949 0.81 EGFR (0.47) PDE4BEGFRSYKBTKITK
SCHEMBL870950 0.81 EGFR (0.47) PDE4BEGFRSYKBTKITK

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 2/4885EGFR 4713/4885SYK 1568/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885EGFR 4713/4885SYK 1568/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885EGFR 4569/4885SYK 2553/4885

“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.