SCHEMBL4100544

SCHEMBL4100544

O=C(O)c1cc(F)cnc1NC1CCSCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.38
JAK2 O60674 5/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CHEK1 O14757 2/20 0.36
CSNK2A1 P68400 5/20 0.35
OPRK1 P41145 1/20 0.35
GPR6 P46095 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4104650 0.92 MAPK1 (0.38) HCAR3JAK2IRAK4CHEK1OPRK1
SCHEMBL15635529 0.87 JAK2 (0.46) HCAR3JAK2CHEK1OPRK1
SCHEMBL871750 0.87 JAK2 (0.46) HCAR3JAK2CHEK1CSNK2A1OPRK1
SCHEMBL4110540 0.84 MCHR1 (0.40) IRAK4ALDH1A1
SCHEMBL4110544 0.84 MCHR1 (0.40) IRAK4ALDH1A1
SCHEMBL12941959 0.84 HCAR3 (0.38) HCAR3CHEK1CSNK2A1CSNK2A2CSNK2B
SCHEMBL4098946 0.84 HCAR3 (0.38) HCAR3CHEK1CSNK2A1OPRK1CSNK2A2
SCHEMBL17110968 0.83 MAPK8 (0.43) HCAR3JAK2IRAK4
SCHEMBL870326 0.82 SSTR4 (0.46) JAK2CHEK1CSNK2A1OPRK1CSNK2A2
SCHEMBL8178773 0.81 MCHR1 (0.40) JAK2IRAK4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-1999130-A1 PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS AstraZeneca AB (SE) 2008-12-10 EP disclosed
US-20080207650-A1 Chemical Compounds 636 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207650-A1 Chemical Compounds 636 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207650-A1 Chemical Compounds 636 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008084240-A1 CHEMICAL COMPOUNDS 636 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008084240-A1 CHEMICAL COMPOUNDS 636 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008084236-A1 CHEMICAL COMPOUNDS 635 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008084236-A1 CHEMICAL COMPOUNDS 635 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2007108750-A1 PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2007-09-27 WO disclosed
WO-2007108750-A1 PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2007-09-27 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 (2 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-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors PDE4A, PDE4B, PDE12 HCAR3 2700/4885JAK2 1996/4885IRAK4 167/4885
US-20080207650-A1 Chemical Compounds 636 PDE4A, PDE3B, PDE3A HCAR3 892/4885JAK2 1305/4885IRAK4 383/4885

“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.