SCHEMBL1014805

SCHEMBL1014805

COC(=O)c1cnc(N2CCOCC2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HSD11B1 P28845 1/20 0.54
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN11 Q06124 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 5/20 0.47
ALOX15 P16050 1/20 0.46
PIK3CB P42338 1/20 0.46
MEN1 O00255 1/20 0.46
APAF1 O14727 1/20 0.46
NPC1 O15118 1/20 0.46
TDP2 O95551 1/20 0.46
NSD2 O96028 1/20 0.46
PLA2G1B P04054 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PLCG1 P19174 1/20 0.46

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
SCHEMBL1013949 0.85 POLB (0.59) ALDH1A1HSD11B1POLBSMN1; SMN2PTPN11
SCHEMBL32671619 0.82 HSD11B1 (0.55) ALDH1A1HSD11B1POLBSMN1; SMN2PTPN11
SCHEMBL5455199 0.82 CNR2 (0.63) ALDH1A1HSD11B1POLBPTPN11KDM4E
SCHEMBL1014459 0.80 HSD11B1 (0.58) ALDH1A1HSD11B1POLBPTPN11KDM4E
SCHEMBL10327933 0.80 PIK3CA (0.56) PTPN11PIK3CB
SCHEMBL1015481 0.80 HSD11B1 (0.58) ALDH1A1HSD11B1POLBPTPN11KDM4E
SCHEMBL1013801 0.80 HSD11B1 (0.64) ALDH1A1HSD11B1POLBSMN1; SMN2PTPN11
SCHEMBL1015144 0.79 HSD11B1 (0.59) ALDH1A1HSD11B1POLBSMN1; SMN2PTPN11
SCHEMBL8196662 0.79 POLB (0.67) ALDH1A1POLBCYP1A2HSD17B10MAPT
SCHEMBL1014624 0.78 HSD11B1 (0.62) HSD11B1POLBSMN1; SMN2PTPN11MAPT

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 9 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
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
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 US disclosed
EP-1765790-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006003378-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT ASTRAZENECA AB (SE) 2006-01-12 WO 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 (2 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 ALDH1A1 53/4885HSD11B1 2/4885POLB 2006/4885
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 ALDH1A1 309/4885HSD11B1 4832/4885POLB 3288/4885

“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.