SCHEMBL1016549

SCHEMBL1016549

COc1ncc(C(=O)O)c(C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 2/20 0.37
DHODH Q02127 2/20 0.37
PDE4D Q08499 3/20 0.36
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 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
SCHEMBL1014692 0.81 CSNK1D (0.46) KMT2AALDH1A1HSD17B10MEN1GLA
SCHEMBL1015670 0.79 HSD11B1 (0.50) KMT2AALDH1A1DHODHTDP1POLB
SCHEMBL3822431 0.77 POLB (0.37) KMT2AALDH1A1DHODHGLATDP1
SCHEMBL28087809 0.76 DHODH (0.39) KMT2AALDH1A1MEN1DHODHTDP1
SCHEMBL1014948 0.75 MEN1 (0.46) KMT2AALDH1A1MEN1DHODHTDP1
SCHEMBL28073266 0.75 CSNK2A1 (0.39) DHODHHSD11B1
SCHEMBL8140882 0.75 KDM4E (0.39) KMT2AALDH1A1DHODHPOLBKDM4E
SCHEMBL4763537 0.75 HPGD (0.54) KMT2AALDH1A1CYP1A2MEN1CYP3A4
SCHEMBL25778753 0.75 CYP1A2 (0.39) KMT2AALDH1A1CYP1A2HSD17B10MEN1
SCHEMBL1932956 0.75 TDP1 (0.40) KMT2AALDH1A1CYP1A2HSD17B10MEN1

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 KMT2A 1860/4885ALDH1A1 53/4885CYP1A2 35/4885

“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.