SCHEMBL1013161

SCHEMBL1013161

COC(=O)c1cnc(C)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
GAA P10253 4/20 0.50
GLA P06280 2/20 0.50
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 6/20 0.44
SPR P35270 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM6B O15054 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
HIF1AN Q9NWT6 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PADI4 Q9UM07 1/20 0.38

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
SCHEMBL1014580 0.83 KDM4E (0.58) KDM4EGAAGLAMAPTALDH1A1
SCHEMBL23900414 0.79 KDM6B (0.61) KDM4EGAAALDH1A1KDM6BKDM4A
SCHEMBL23900679 0.78 KDM4E (0.46) KDM4EGAAGLATSHRMAPT
SCHEMBL23900700 0.76 HTR2C (0.45) KDM4EGAAGLATSHRMAPT
SCHEMBL4251404 0.76 MMP2 (0.50) KDM4EGAAGLATSHRMAPT
SCHEMBL9127016 0.73 GAA (0.49) KDM4EGAAGLAMAPTALDH1A1
SCHEMBL4734537 0.70 KDM4E (0.68) KDM4EGAAGLATSHRMAPT
SCHEMBL25652163 0.70 NNMT (0.46) KDM4EGAAGLATSHRMAPT
SCHEMBL15632424 0.69 CA12 (0.50) KDM4EGAATSHRMAPTALDH1A1
SCHEMBL10194200 0.69 MEN1 (0.44) KDM4EGAAGLATSHRMAPT

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 5 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

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 1727/4885GAA 1326/4885GLA 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.