SCHEMBL1014147

SCHEMBL1014147

CSc1ncc(C(=O)O)c(C2CCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.41
PDE4B Q07343 2/20 0.39
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
AHR P35869 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL1587409 0.97 KMT2A (0.44) KMT2AMEN1KDM4EPDE4BKDM6B
SCHEMBL1014941 0.96 KMT2A (0.43) KMT2AMEN1KDM4EPDE4BKDM6B
SCHEMBL1014948 0.94 MEN1 (0.46) KMT2AMEN1KDM4EPDE4BKDM6B
SCHEMBL1015686 0.85 MEN1 (0.43) KMT2AMEN1PDE4BTDP1SMN1; SMN2
SCHEMBL1015391 0.82 MEN1 (0.41) KMT2AMEN1KDM4EPDE4BKDM6B
SCHEMBL1013236 0.82 MEN1 (0.43) KMT2AMEN1PDE4BTDP1SMN1; SMN2
SCHEMBL1014489 0.81 MEN1 (0.42) KMT2AMEN1PDE4BALDH1A1
SCHEMBL28305461 0.81 PIM1 (0.43) KMT2AMEN1KDM4EPDE4BAHR
SCHEMBL1013177 0.80 MEN1 (0.40) KMT2AMEN1KDM4EPDE4BKDM6B
SCHEMBL1014376 0.80 MEN1 (0.40) KMT2AMEN1KDM4EPDE4BKDM6B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 US disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 US 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 (2 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 1860/4885MEN1 1994/4885KDM4E 1727/4885
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 HSD11B1, HSD17B11, HSD3B1 KMT2A 4168/4885MEN1 1214/4885KDM4E 3702/4885

“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.