Sugi Predict

Sugi Predict / Compounds / SCHEMBL6238537

SCHEMBL6238537

SCHEMBL6238537

COc1ccc2[nH]c3c(c2c1)CC(CCC(=O)O)NC3=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MTNR1A P48039 1/20 0.51
▸ MTNR1B P49286 1/20 0.51
▸ MAPKAPK2 P49137 9/20 0.51
▸ HSD17B10 Q99714 1/20 0.47
▸ MDH2 P40926 1/20 0.45
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ CCNB2 O95067 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCNB3 Q8WWL7 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL6240559 0.91 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTMTNR1A
SCHEMBL1656589 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTMTNR1A
SCHEMBL4261659 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTMTNR1A
SCHEMBL1661420 0.85 MAPKAPK2 (0.58) KDM4EALDH1A1HPGDMAPTMTNR1A
Trifluoroacetic Acid SCHEMBL6240089 0.84 MAPKAPK2 (0.50) KDM4EALDH1A1HPGDMAPTMTNR1A
SCHEMBL1655972 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTMTNR1A
SCHEMBL1660754 0.83 MAPKAPK2 (0.57) KDM4EALDH1A1HPGDMAPTMTNR1A
Trifluoroacetic Acid SCHEMBL6235847 0.83 MAPKAPK2 (0.48) KDM4EALDH1A1HPGDMAPTMTNR1A
Hydrochloric Acid SCHEMBL1656605 0.82 MAPKAPK2 (0.56) KDM4EALDH1A1HPGDMAPTMTNR1A
Trifluoroacetic Acid SCHEMBL1658738 0.82 MAPKAPK2 (0.56) KDM4EALDH1A1HPGDMAPTMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 — — US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 — — US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 — — WO 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 KDM4E 1947/4885ALDH1A1 4386/4885HPGD 1729/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 KDM4E 2254/4885ALDH1A1 3919/4885HPGD 1858/4885

“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.