SCHEMBL6791309

SCHEMBL6791309

O=C(O)c1[nH]nc2c1ccc1cc(O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
SMAD3 P84022 1/20 0.38
CA12 O43570 3/20 0.36
ALPL P05186 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDPK1 O15530 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CDC25B P30305 1/20 0.35
PARP1 P09874 2/20 0.35
SOS1 Q07889 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 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
SCHEMBL6788709 0.79 CA12 (0.43) MEN1KMT2ALMNAPOLBCA12
SCHEMBL6793843 0.75 CCNA2 (0.39) MEN1KMT2APOLBCCNA2CDK2
SCHEMBL5657095 0.68 LMNA (0.51) MEN1KMT2ALMNAPOLBPDPK1
SCHEMBL4137339 0.67 CA12 (0.50) MEN1KMT2APOLBSMAD3CA12
SCHEMBL12342769 0.66 MEN1 (0.53) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL1533447 0.66 CYP1A2 (0.57) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL3391531 0.66 LDHA (0.61) MEN1KMT2APOLBCA12CDC25B
SCHEMBL273841 0.66 PTPN1 (0.68) CA12CDC25BSOS1CA1CA2
SCHEMBL732139 0.66 CA12 (0.48) MEN1KMT2ASMAD3CA12NPC1
SCHEMBL30178354 0.66 CA12 (0.48) MEN1KMT2ASMAD3CA12NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MEN1 1382/4885KMT2A 1257/4885LMNA 4286/4885

“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.