SCHEMBL6791439

SCHEMBL6791439

NC(=O)c1[nH]nc2c1ccc1c(Br)c(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
PDPK1 O15530 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL6793843 0.86 CCNA2 (0.39) CCNA2CDK2CCNA1KDM4EPOLB
SCHEMBL6787887 0.78 MAPT (0.47) KDM4EPOLB
SCHEMBL6794445 0.76 CCNA2 (0.55) CCNA2CDK2CCNA1POLBESR1
SCHEMBL2367630 0.67 POLB (0.56) KDM4EPOLBESR1ESR2THRA
SCHEMBL30081125 0.67 POLB (0.56) KDM4EPOLBESR1ESR2THRA
SCHEMBL6790788 0.66 CCNA2 (0.54) CCNA2CDK2CCNA1KDM4EPOLB
SCHEMBL2172066 0.66 CCNA2 (0.54) CCNA2CDK2CCNA1KDM4EHSP90AA1
SCHEMBL1559614 0.65 CCNA2 (0.52) CCNA2CDK2CCNA1PDPK1
Hydrochloric Acid SCHEMBL1560040 0.64 CCNA2 (0.51) CCNA2CDK2CCNA1PDPK1
SCHEMBL4670538 0.64 POLB (0.34) KDM4EPOLBESR1ESR2THRA

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.