SCHEMBL6793335

SCHEMBL6793335

Cn1nc2c(c1C(N)=O)CCc1cc(O)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.49
CYP2C9 P11712 2/20 0.43
S1PR1 P21453 3/20 0.38
ESR1 P03372 2/20 0.38
PTAFR P25105 1/20 0.38
ESR2 Q92731 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PRKCI P41743 1/20 0.36
HSP90AA1 P07900 1/20 0.36
AKR1B1 P15121 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 1/20 0.36
CYP2C8 P10632 1/20 0.35
CDK4 P11802 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
HSD17B1 P14061 1/20 0.34
CYP26A1 O43174 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
SCHEMBL6792714 0.88 HCAR2 (0.55) HCAR2CYP2C9S1PR1ESR1PTAFR
SCHEMBL19150954 0.84 MEN1 (0.52) CYP2C9HSP90AA1CCNA2CDK2CCNA1
SCHEMBL6786891 0.82 HCAR2 (0.48) HCAR2CYP2C9S1PR1ESR1ESR2
SCHEMBL6792816 0.80 CCNA2 (0.55) HCAR2CYP2C9CCNA2CDK2CCNA1
SCHEMBL881069 0.78 HCAR2 (0.45) HCAR2CYP2C9S1PR1PTAFRESR2
SCHEMBL1376912 0.77 HRH3 (0.48) HCAR2CYP2C9ESR1MAOAMAOB
SCHEMBL6793552 0.74 CCNA2 (0.54) HCAR2CYP2C9S1PR1ESR1ESR2
Hydrochloric Acid SCHEMBL1656581 0.73 HCAR2 (0.44) HCAR2CYP2C9S1PR1ESR1AKR1B1
SCHEMBL6792867 0.73 HCAR2 (0.56) HCAR2CYP2C9PTAFRMAOBAKR1B1
SCHEMBL19128564 0.72 KDM4E (0.59) CYP2C9HSP90AA1

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 2 patents. 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 claimed
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 HCAR2 1767/4885CYP2C9 1505/4885S1PR1 3083/4885

“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.