SCHEMBL1015952

SCHEMBL1015952

CCCSc1nc(N2CCOCC2)ncc1C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 4/20 0.47
PKM P14618 1/20 0.46
USP2 O75604 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 4/20 0.44
POLB P06746 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL1013041 0.86 HSD11B1 (0.60) HSD11B1KDM4EALOX15ALDH1A1LMNA
SCHEMBL1014359 0.86 SYK (0.48) HSD11B1KDM4EALOX15ALDH1A1LMNA
SCHEMBL1014978 0.83 ALOX15 (0.55) HSD11B1KDM4EALOX15ALDH1A1LMNA
SCHEMBL242697 0.82 KDM4E (0.61) KDM4EALOX15ALDH1A1LMNAMAPT
SCHEMBL244096 0.81 KDM4E (0.60) KDM4EALOX15ALDH1A1LMNAMAPT
SCHEMBL244184 0.81 KDM4E (0.66) KDM4EALOX15ALDH1A1LMNAMAPT
SCHEMBL13696639 0.80 KDM4E (0.59) KDM4EALOX15ALDH1A1LMNAMAPT
SCHEMBL1012134 0.79 KDM4E (0.58) HSD11B1KDM4EALOX15ALDH1A1LMNA
SCHEMBL14590419 0.79 MAPT (0.59) KDM4EALOX15ALDH1A1LMNAMAPT
SCHEMBL12929380 0.79 KDM4E (0.61) KDM4EALOX15ALDH1A1LMNAMAPT

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 2/4885KDM4E 1727/4885ALOX15 242/4885

“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.