SCHEMBL1012918

SCHEMBL1012918

CC(C)(C)c1ncncc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
KDM4E B2RXH2 5/20 0.33
KDM4C Q9H3R0 3/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL8580209 0.83 DGAT1 (0.33) KDM4ETDP1MAPTDGAT1
SCHEMBL22907602 0.83 SIRT3 (0.42) TDP1L3MBTL1DGAT1
SCHEMBL1671209 0.81 ASPH (0.43) HCAR2KDM4EKDM4CKMT2AASPH
Trimethylammonium SCHEMBL8543218 0.78 ASPH (0.38) HCAR2KDM4EKMT2AASPHHPGD
Trimethylammonium SCHEMBL8541657 0.78 ASPH (0.38) HCAR2KDM4EKMT2AASPHHPGD
SCHEMBL1012427 0.76 KDM4E (0.49) KDM4EKMT2AHPGDMEN1ALDH1A1
SCHEMBL8577797 0.74 TYK2 (0.40) KMT2AHPGDTHRBL3MBTL1ALOX15
SCHEMBL8576768 0.74 ADORA1 (0.44) KMT2AHPGDMEN1MAPT
SCHEMBL29364820 0.74 HPGD (0.47) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL1667344 0.74 HPGD (0.47) HCAR2GABRPGABRDGABRA1GABRB1

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 HCAR2 687/4885GABRP 1474/4885GABRD 508/4885

“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.