SCHEMBL4113455

SCHEMBL4113455

CN1CCCC1c1ccc2nc(C(=O)N[C@H]3CC[C@@H](n4c(=O)c5cc(F)cnc5n(C5CCSCC5)c4=O)CC3)cn2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.48
NTRK1 P04629 9/20 0.35
JAK2 O60674 8/20 0.35
CNR1 P21554 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TNKS O95271 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
JAK1 P23458 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HPGDS O60760 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL4113460 1.00 PDE4B (0.48) PDE4BNTRK1JAK2CNR1GPR55
SCHEMBL4113995 0.88 PDE4B (0.53) PDE4BCNR1GPR55TNKSHPGDS
SCHEMBL4104197 0.88 PDE4B (0.60) PDE4BCNR1GPR55TNKSHPGDS
SCHEMBL4104192 0.88 PDE4B (0.60) PDE4BCNR1GPR55TNKSHPGDS
SCHEMBL4098136 0.86 PDE4B (0.52) PDE4BCNR1GPR55TNKSUSP30
SCHEMBL4106366 0.86 PDE4B (0.52) PDE4BCNR1GPR55TNKSUSP30
SCHEMBL871139 0.85 PDE4B (0.40) PDE4BNTRK1JAK2CNR1GPR55
SCHEMBL871140 0.85 PDE4B (0.40) PDE4BNTRK1JAK2CNR1GPR55
SCHEMBL5107421 0.84 PDE4B (0.51) PDE4BCNR1GPR55TNKSHPGDS
SCHEMBL5107412 0.84 PDE4B (0.51) PDE4BCNR1GPR55TNKSHPGDS

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 5 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
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 2/4885NTRK1 4199/4885JAK2 1996/4885

“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.