Sugi Predict

Sugi Predict / Compounds / SCHEMBL4139015

SCHEMBL4139015

SCHEMBL4139015

CC(=O)n1nc(C(C)(C)C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ GRN P28799 4/20 0.43
▸ SORT1 Q99523 4/20 0.43
▸ IKBKB O14920 2/20 0.41
▸ IKBKE Q14164 2/20 0.41
▸ MAP3K14 Q99558 3/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ AURKA O14965 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ CASP1 P29466 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MAPK14 Q16539 6/20 0.36

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
SCHEMBL20603916 0.85 GRN (0.47) KDM4EGRNSORT1CDK5CDK8
SCHEMBL13265589 0.81 KDM4E (0.44) KDM4EGRNSORT1CDK5CDK8
SCHEMBL14378912 0.80 KDM4E (0.40) KDM4EGRNSORT1CDK5CDK8
SCHEMBL667656 0.80 KDM4E (0.40) KDM4EGRNSORT1CDK5CDK8
SCHEMBL15046195 0.78 KDM4E (0.44) KDM4EGRNSORT1CDK5CDK8
Hydrochloric Acid SCHEMBL9121760 0.76 KDM4E (0.42) KDM4EGRNSORT1CDK5CDK8
SCHEMBL22535480 0.73 GRN (0.39) KDM4EGRNSORT1CDK5CDK8
SCHEMBL432964 0.70 KDM4E (0.50) KDM4EGRNSORT1MAPK14MAPK13
SCHEMBL21643577 0.69 KDM4E (0.33) KDM4EGRNSORT1
Oxalic Acid SCHEMBL1013112 0.69 GRN (0.44) KDM4EGRNSORT1CDK5CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 — — CN disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 — — US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 — — US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 — — US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 — — 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 (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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 KDM4E 1259/4885GRN 697/4885SORT1 3382/4885

“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.