SCHEMBL1014028

SCHEMBL1014028

Cc1nc(N2CCCC2)ncc1C(=O)NC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 6/20 0.58
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD11B1 P28845 1/20 0.50
NR3C1 P04150 2/20 0.49
BRAF P15056 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL1014776 0.99 POLB (0.64) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1017870 0.99 POLB (0.64) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1014719 0.90 POLB (0.53) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1014624 0.90 HSD11B1 (0.62) POLBSMN1; SMN2MAPTHSD11B1BRAF
SCHEMBL1013784 0.90 POLB (0.53) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1015708 0.89 POLB (0.52) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1015182 0.89 HSD11B1 (0.61) POLBSMN1; SMN2MAPTHSD11B1NR3C1
SCHEMBL1014425 0.89 HSD11B1 (0.61) POLBSMN1; SMN2MAPTHSD11B1NR3C1
SCHEMBL1014757 0.88 PTPN11 (0.50) POLBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1014750 0.87 POLB (0.50) POLBSMN1; SMN2MAPTHSD11B1NR3C1

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
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
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 POLB 2006/4885SMN1; SMN2 2203/4885MAPT 4375/4885

“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.