SCHEMBL1014459

SCHEMBL1014459

COC(=O)c1cnc(N2CCOCC2)nc1C1CCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.58
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 4/20 0.44
PIK3CD O00329 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PIK3CB P42338 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL1015481 0.98 HSD11B1 (0.58) HSD11B1PTPN11ALDH1A1PIK3CDTSHR
SCHEMBL1015144 0.97 HSD11B1 (0.59) HSD11B1PTPN11ALDH1A1PIK3CDTSHR
SCHEMBL1015254 0.85 HSD11B1 (0.59) HSD11B1PTPN11ALDH1A1PIK3CDTSHR
SCHEMBL1014270 0.83 HSD11B1 (0.59) HSD11B1PTPN11ALDH1A1PIK3CDTSHR
SCHEMBL1014816 0.83 KDM4E (0.57) HSD11B1ALDH1A1NPSR1POLBHSD17B10
SCHEMBL1013924 0.82 HSD11B1 (0.60) HSD11B1PTPN11ALDH1A1PIK3CDTSHR
SCHEMBL1014805 0.80 ALDH1A1 (0.55) HSD11B1PTPN11ALDH1A1TSHRPOLB
SCHEMBL1018223 0.80 HSD11B1 (0.58) HSD11B1PTPN11ALDH1A1PIK3CDPOLB
SCHEMBL1015011 0.78 HSD11B1 (0.54) HSD11B1ALDH1A1KDM4E
SCHEMBL5455199 0.76 CNR2 (0.63) HSD11B1PTPN11ALDH1A1POLBPIK3CB

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
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 HSD11B1 2/4885PTPN11 3353/4885ALDH1A1 53/4885

“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.