SCHEMBL6327581

SCHEMBL6327581

COC(=O)C(=O)c1c[nH]c2cc(Cl)c(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 14/20 0.49
PRKAA1 Q13131 14/20 0.49
PRKAB1 Q9Y478 14/20 0.49
PRKAB2 O43741 12/20 0.49
PRKAA2 P54646 12/20 0.49
PRKAG3 Q9UGI9 12/20 0.49
PRKAG2 Q9UGJ0 12/20 0.49
GPR84 Q9NQS5 1/20 0.47
NR4A2 P43354 2/20 0.45
IDO1 P14902 2/20 0.40

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
SCHEMBL6325340 0.88 PRKAB2 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
Hydrochloric Acid SCHEMBL14487854 0.87 PRKAB2 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3104933 0.81 PRKAB2 (0.59) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL10478188 0.80 NR4A2 (0.53) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13013297 0.77 NR4A2 (0.74) NR4A2
SCHEMBL6030723 0.77 KDM4E (0.55) NR4A2
SCHEMBL6030601 0.77 NR4A2 (0.51) GPR84NR4A2IDO1
SCHEMBL6334125 0.77 NR4A2 (0.74) NR4A2
SCHEMBL9215146 0.76 POLB (0.44)
SCHEMBL23622947 0.74 F7 (0.56) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 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-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 PRKAG1 158/4885PRKAA1 369/4885PRKAB1 247/4885

“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.