SCHEMBL1015693

SCHEMBL1015693

Cc1ncc(C(=O)OC2CCCC2)c(OC2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM5 P41594 2/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
LRRK2 Q5S007 2/20 0.35
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
ATM Q13315 2/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1013091 0.87 MAOB (0.37) KMT2AHPGDGRM5PIK3CDABL1
SCHEMBL1015157 0.85 CSNK1D (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1015729 0.84 FFAR4 (0.37) HPGDGRM5PIK3CDABL1LRRK2
SCHEMBL28721952 0.75 OPRK1 (0.40) ALDH1A1PIK3CD
SCHEMBL22835196 0.75 HSP90AA1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29652040 0.75 HSP90AA1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL26984563 0.73 CSNK1D (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30830249 0.73 CSNK1D (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29598201 0.72 MAPK8 (0.40) ALDH1A1
SCHEMBL22835026 0.72 MAPK8 (0.40) ALDH1A1

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 4 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
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 NPC1 1075/4885RAB9A 1947/4885MEN1 1994/4885

“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.