SCHEMBL871750

SCHEMBL871750

O=C(O)c1cc(F)cnc1NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.46
HCAR3 P49019 2/20 0.46
OPRK1 P41145 2/20 0.44
KMT2A Q03164 1/20 0.41
CHEK1 O14757 2/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL15635529 0.97 JAK2 (0.46) JAK2HCAR3OPRK1KMT2ACHEK1
SCHEMBL3837577 0.92 JAK2 (0.43) JAK2HCAR3OPRK1KMT2A
SCHEMBL4100544 0.87 HCAR3 (0.38) JAK2HCAR3OPRK1CHEK1CSNK2A2
SCHEMBL17110968 0.86 MAPK8 (0.43) JAK2HCAR3SYK
SCHEMBL870326 0.85 SSTR4 (0.46) JAK2OPRK1CHEK1CSNK2A2CSNK2B
SCHEMBL871377 0.83 PDGFRB (0.46) JAK2HCAR3OPRK1
SCHEMBL871376 0.83 PDGFRB (0.46) JAK2HCAR3OPRK1
SCHEMBL15636753 0.83 TRPA1 (0.39) JAK2HCAR3OPRK1CHEK1
SCHEMBL4104650 0.82 MAPK1 (0.38) JAK2HCAR3OPRK1CHEK1
SCHEMBL12941947 0.82 HCAR3 (0.46) JAK2HCAR3OPRK1CSNK2A2CSNK2B

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 8 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
CN-102532135-A Chemical compounds 637: pyridopyrimidinediones as pde4 inhibitors ASTRAZENECA AB 2012-07-04 CN 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
CN-101636388-A Compound 637: pyridopyrimidinediones as PDE4 inhibitors ASTRAZENECA AB 2010-01-27 CN 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 JAK2 1299/4885HCAR3 980/4885OPRK1 1482/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B JAK2 1299/4885HCAR3 980/4885OPRK1 1482/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A JAK2 1968/4885HCAR3 2479/4885OPRK1 3687/4885

“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.