SCHEMBL4098136

SCHEMBL4098136

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(C3CCSCC3)c2=O)CC1)c1cn2cc(Cl)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.52
CNR1 P21554 3/20 0.36
GPR55 Q9Y2T6 1/20 0.36
USP30 Q70CQ3 1/20 0.35
TNKS O95271 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGDS O60760 1/20 0.34
NR3C1 P04150 1/20 0.34
CNR2 P34972 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL4104197 0.93 PDE4B (0.60) PDE4BCNR1GPR55TNKSNPC1
SCHEMBL4104192 0.93 PDE4B (0.60) PDE4BCNR1GPR55TNKSNPC1
SCHEMBL4113995 0.92 PDE4B (0.53) PDE4BCNR1GPR55TNKSNPC1
SCHEMBL4106366 0.91 PDE4B (0.52) PDE4BCNR1GPR55USP30TNKS
SCHEMBL5107412 0.89 PDE4B (0.51) PDE4BCNR1GPR55TNKSHPGDS
SCHEMBL5107421 0.89 PDE4B (0.51) PDE4BCNR1GPR55TNKSHPGDS
SCHEMBL4107471 0.89 PDE4B (0.49) PDE4BGPR55TNKSNPC1RAB9A
SCHEMBL4107473 0.89 PDE4B (0.49) PDE4BGPR55TNKSNPC1RAB9A
SCHEMBL4106399 0.87 PDE4B (0.48) PDE4BCNR1GPR55TNKSNPC1
SCHEMBL4113455 0.86 PDE4B (0.48) PDE4BCNR1GPR55USP30TNKS

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 3 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
EP-1999130-A1 PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS AstraZeneca AB (SE) 2008-12-10 EP 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 (1 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 PDE4B 2/4885CNR1 2779/4885GPR55 640/4885

“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.