SCHEMBL1012427

SCHEMBL1012427

CCOC(=O)c1cncnc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 3/20 0.40
HSP90AA1 P07900 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL9630799 0.88 KDM4E (0.47) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL6775372 0.86 KDM4E (0.62) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL1669584 0.80 TSHR (0.48) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL29906642 0.80 TSHR (0.48) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL1475885 0.79 TSHR (0.41) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL2327456 0.79 TSHR (0.47) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL7844021 0.79 TSHR (0.47) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL31351961 0.79 TSHR (0.47) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL1013852 0.78 KDM4E (0.56) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL23143261 0.78 TSHR (0.46) KDM4ETSHRALDH1A1HPGDMEN1

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
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 KDM4E 1727/4885TSHR 2468/4885ALDH1A1 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.