SCHEMBL1016067

SCHEMBL1016067

CCN1CCN(c2ncc(C(=O)NCCN3CCOCC3)c(C)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
MERTK Q12866 2/20 0.48
TYRO3 Q06418 1/20 0.48
GAS6 Q14393 1/20 0.48
HSD11B1 P28845 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
PTPN11 Q06124 1/20 0.47

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
SCHEMBL1015713 0.93 HSD11B1 (0.53) PDE5AMERTKTYRO3GAS6HSD11B1
SCHEMBL1014389 0.91 POLB (0.53) PDE5AHSD11B1
SCHEMBL1015086 0.89 HSD11B1 (0.52) PDE5AHSD11B1
SCHEMBL1012298 0.79 MERTK (0.49) MERTKTYRO3GAS6KDM5B
SCHEMBL1012872 0.78 PTPN11 (0.52) MERTKTYRO3GAS6HSD11B1PTPN11
SCHEMBL1014757 0.77 PTPN11 (0.50) HSD11B1PTPN11
SCHEMBL1014750 0.76 POLB (0.50) HSD11B1PTPN11
SCHEMBL1013801 0.74 HSD11B1 (0.64) HSD11B1PTPN11
SCHEMBL9686641 0.72 TRPA1 (0.57) MERTKTYRO3GAS6PTPN11
SCHEMBL1014624 0.72 HSD11B1 (0.62) HSD11B1PTPN11

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
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 PDE5A 483/4885MERTK 4495/4885TYRO3 4281/4885

“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.