SCHEMBL6794445

SCHEMBL6794445

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PDPK1 O15530 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LCK P06239 2/20 0.34
F12 P00748 1/20 0.33
GRK2 P25098 1/20 0.33
KCNJ11 Q14654 1/20 0.33
ESR1 P03372 1/20 0.33
PARP1 P09874 1/20 0.32
TYMS P04818 1/20 0.32

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
SCHEMBL6791309 0.86 MEN1 (0.45) CCNA2CDK2CCNA1LMNAMEN1
SCHEMBL6788709 0.78 CA12 (0.43) LMNAMEN1POLBKMT2AESR1
SCHEMBL6791439 0.76 CCNA2 (0.55) CCNA2CDK2CCNA1POLBPDPK1
SCHEMBL2172066 0.72 CCNA2 (0.54) CCNA2CDK2CCNA1LMNAPARP1
SCHEMBL1559614 0.71 CCNA2 (0.52) CCNA2CDK2CCNA1PDPK1
Hydrochloric Acid SCHEMBL1560040 0.70 CCNA2 (0.51) CCNA2CDK2CCNA1PDPK1
SCHEMBL1807859 0.67 KDM4E (0.62) POLBPDPK1LCKPARP1ABL1
SCHEMBL5657095 0.67 LMNA (0.51) LMNAMEN1POLBKMT2APDPK1
SCHEMBL17786140 0.66 CCNA2 (0.46) CCNA2CDK2CCNA1PDPK1
SCHEMBL12342769 0.65 MEN1 (0.53) LMNAMEN1POLBKMT2AESR1

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 CCNA2 270/4885CDK2 29/4885CCNA1 527/4885

“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.