SCHEMBL1013091

SCHEMBL1013091

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
FFAR2 O15552 2/20 0.37
PIK3CD O00329 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
HPGD P15428 1/20 0.36
LRRK2 Q5S007 2/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
SYK P43405 2/20 0.35
KMO O15229 1/20 0.34
HSD11B1 P28845 2/20 0.34
GRM5 P41594 1/20 0.34
ABL1 P00519 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
SCHEMBL1015729 0.97 FFAR4 (0.37) MAOBFFAR2PIK3CDHPGDLRRK2
SCHEMBL1015693 0.87 NPC1 (0.38) PIK3CDHPGDLRRK2KMT2AGRM5
SCHEMBL1015157 0.81 CSNK1D (0.43) MAOBKMT2A
SCHEMBL31003980 0.79 TYK2 (0.37) MAOBPIK3CDCCNB2CCNE2CDK1
SCHEMBL22834749 0.79 TYK2 (0.37) MAOBPIK3CDCCNB2CCNE2CDK1
SCHEMBL11552821 0.77 MAOB (0.42) MAOBLRRK2FFAR4SYKKMO
SCHEMBL4765049 0.77 HPGD (0.45) MAOBCCNB2CCNE2CDK1CCNB1
SCHEMBL20524652 0.76 TDP1 (0.51) HPGDKMT2A
SCHEMBL4767772 0.75 HPGD (0.44) MAOBCCNB2CCNE2CDK1CCNB1
SCHEMBL4131816 0.74 PIK3CD (0.63) PIK3CDLRRK2HSD11B1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
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
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
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 MAOB 892/4885FFAR2 981/4885PIK3CD 1152/4885

“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.