SCHEMBL1015007

SCHEMBL1015007

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.38
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA7 P43166 5/20 0.37
CA9 Q16790 5/20 0.37
CA14 Q9ULX7 5/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 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
SCHEMBL1018930 0.84 ALDH1A1 (0.41) NPSR1LMNAALDH1A1KDM4EMEN1
SCHEMBL22835150 0.83 NPSR1 (0.40) NPSR1LMNACA12CA1CA2
SCHEMBL3652925 0.72 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL24585103 0.71 LMNA (0.46) LMNAALDH1A1KDM4EGSK3BPOLB
SCHEMBL30601127 0.71 LMNA (0.46) LMNAALDH1A1KDM4EGSK3BPOLB
SCHEMBL9157981 0.71 HSP90AA1 (0.59) LMNAALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL17732604 0.69 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1425026 0.69 CA12 (0.45) NPSR1LMNACA12CA1CA2
SCHEMBL3283452 0.68 ALDH1A1 (0.50) LMNAALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL3865834 0.68 NFKB1 (0.43) NPSR1CA12CA1CA2CA7

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 6 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

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 NPSR1 713/4885LMNA 4185/4885CA12 3640/4885

“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.