SCHEMBL870326

SCHEMBL870326

CN1CCC(Nc2ncc(F)cc2C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.46
OPRK1 P41145 1/20 0.43
JAK3 P52333 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYRO3 Q06418 5/20 0.40
AURKA O14965 3/20 0.40
AURKB Q96GD4 1/20 0.40
SELP P16109 3/20 0.40
BRD4 O60885 2/20 0.40
ATAD2 Q6PL18 2/20 0.40
ACKR3 P25106 1/20 0.40
FLT3 P36888 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
OPRL1 P41146 1/20 0.39
BTK Q06187 3/20 0.39
GSK3B P49841 3/20 0.39
CHEK1 O14757 3/20 0.39
CHEK2 O96017 3/20 0.39

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
SCHEMBL871750 0.85 JAK2 (0.46) OPRK1JAK2CHEK1CSNK2A2CSNK2B
SCHEMBL15635529 0.85 JAK2 (0.46) OPRK1JAK2CHEK1SYK
SCHEMBL3017215 0.85 TYRO3 (0.48) SSTR4JAK3TYRO3AURKAAURKB
SCHEMBL3017210 0.85 TYRO3 (0.48) SSTR4JAK3TYRO3AURKAAURKB
SCHEMBL16087253 0.83 TYRO3 (0.46) SSTR4JAK3TYRO3AURKAAURKB
SCHEMBL4100544 0.82 HCAR3 (0.38) OPRK1JAK2CHEK1CSNK2A2CSNK2B
SCHEMBL17110968 0.81 MAPK8 (0.43) JAK2GSK3BMAPK1DYRK1ASYK
SCHEMBL871377 0.80 PDGFRB (0.46) OPRK1JAK2BTKCDK2
SCHEMBL871376 0.80 PDGFRB (0.46) OPRK1JAK2BTKCDK2
SCHEMBL3837577 0.79 JAK2 (0.43) OPRK1JAK2

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 14 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
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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US 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-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 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
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US 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
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 SSTR4 616/4885OPRK1 1482/4885JAK3 1003/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B SSTR4 616/4885OPRK1 1482/4885JAK3 1003/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A SSTR4 600/4885OPRK1 3687/4885JAK3 1436/4885

“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.