SCHEMBL4100387

SCHEMBL4100387

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cccnc2NC2CCSCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.49
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MERTK Q12866 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
JAK1 P23458 2/20 0.40
JAK2 O60674 1/20 0.40
PBK Q96KB5 1/20 0.40
EPHX2 P34913 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL13697676 1.00 BTK (0.49) BTKKDM1AMAOBRAB9ACNR1
SCHEMBL4200640 0.83 CNR2 (0.47) BTKKDM1AMAOBRAB9ACNR1
SCHEMBL13929052 0.83 CNR2 (0.47) BTKKDM1AMAOBRAB9ACNR1
SCHEMBL4109875 0.83 BTK (0.44) BTKKDM1AMAOBMERTKJAK1
SCHEMBL8236915 0.83 BTK (0.44) BTKKDM1AMAOBMERTKJAK1
SCHEMBL8236891 0.83 ALDH1A1 (0.44) BTKRAB9AKDM4EALDH1A1GAA
SCHEMBL8177115 0.82 IRAK4 (0.41) BTKMERTKJAK1JAK2
SCHEMBL15289254 0.79 BTK (0.52) BTKKDM1AMAOBMERTKJAK1
SCHEMBL4180056 0.79 POLB (0.50) BTKKDM1AMAOBRAB9ACNR1
SCHEMBL13929047 0.79 POLB (0.50) BTKKDM1AMAOBRAB9ACNR1

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 BTK 1185/4885KDM1A 1325/4885MAOB 83/4885

“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.