SCHEMBL872012

SCHEMBL872012

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
BTK Q06187 1/20 0.53
EPHX2 P34913 9/20 0.51
SYK P43405 2/20 0.51
ITK Q08881 2/20 0.50
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
MAPK14 Q16539 1/20 0.49
BMPR1B O00238 1/20 0.47
BMPR1A P36894 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVRL1 P37023 1/20 0.47
ACVR1 Q04771 1/20 0.47
PDE4B Q07343 1/20 0.46
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
SIK1 P57059 1/20 0.45
SIK2 Q9H0K1 1/20 0.45

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
SCHEMBL872011 1.00 EGFR (0.53) EGFRBTKEPHX2SYKITK
SCHEMBL3018688 0.94 SYK (0.53) EGFRBTKEPHX2SYKITK
SCHEMBL3018694 0.94 SYK (0.53) EGFRBTKEPHX2SYKITK
SCHEMBL10272050 0.90 EGFR (0.49) EGFRBTKEPHX2SYKITK
SCHEMBL872091 0.87 PDE4B (0.57) EGFRBTKEPHX2SYKITK
SCHEMBL870950 0.87 EGFR (0.47) EGFRBTKEPHX2SYKITK
SCHEMBL870949 0.87 EGFR (0.47) EGFRBTKEPHX2SYKITK
SCHEMBL872090 0.87 PDE4B (0.57) EGFRBTKEPHX2SYKITK
SCHEMBL870944 0.85 EGFR (0.60) EGFRBTKEPHX2SYKITK
SCHEMBL3027738 0.83 EGFR (0.47) EGFRBTKEPHX2SYKITK

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 6 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
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO 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 EGFR 4713/4885BTK 1387/4885EPHX2 1943/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B EGFR 4713/4885BTK 1387/4885EPHX2 1943/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A EGFR 4569/4885BTK 1669/4885EPHX2 1590/4885

“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.