SCHEMBL1013852

SCHEMBL1013852

CCOC(=O)c1cnc(C)nc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
JUN P05412 3/20 0.47
FOS P01100 2/20 0.47
CSNK1D P48730 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4900420 0.86 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL21341724 0.86 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2119119 0.86 KDM4E (0.74) KDM4EALDH1A1MAPTNFKB1NFKB2
SCHEMBL4886213 0.85 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL15504767 0.85 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL21341342 0.82 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL12775469 0.82 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1669574 0.80 RAB9A (0.56) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL30996914 0.80 RAB9A (0.56) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL959574 0.79 CSNK1D (0.54) KDM4EALDH1A1SMN1; SMN2MAPTLMNA

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 KDM4E 1727/4885ALDH1A1 53/4885SMN1; SMN2 2203/4885

“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.