SCHEMBL1015210

SCHEMBL1015210

COC(=O)c1cncnc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
SSTR4 P31391 2/20 0.36
CYP17A1 P05093 1/20 0.36
OPRK1 P41145 5/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL20337752 0.83 CSNK1D (0.41) KDM4EALDH1A1GLAGAATSHR
SCHEMBL27831251 0.81 ALDH1A1 (0.36) KDM4EALDH1A1GLAGAAOPRK1
SCHEMBL27993279 0.80 ALDH1A1 (0.36) KDM4EALDH1A1GLAGAAOPRK1
SCHEMBL1014875 0.80 DHODH (0.38) KDM4EALDH1A1GLAPOLBSMN1; SMN2
SCHEMBL3823060 0.78 PARP1 (0.38)
SCHEMBL1014094 0.76 HSD11B1 (0.50) KDM4EALDH1A1GLAGAAOPRK1
SCHEMBL3820437 0.76 FOS (0.42) KDM4EALDH1A1GLAGAAOPRK1
SCHEMBL12615369 0.75 SLC6A3 (0.38) KDM4EALDH1A1OPRK1LMNAPOLB
SCHEMBL27913830 0.74 TDP1 (0.50) KDM4EALDH1A1OPRK1TSHRLMNA
SCHEMBL22791669 0.74 ALDH1A1 (0.43) KDM4EALDH1A1GLAGAATSHR

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 7 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
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 53/4885GLA 3534/4885

“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.