SCHEMBL6324988

SCHEMBL6324988

COC(=O)C(=O)c1c[nH]c2cc(-c3ccncc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.57
ROCK1 Q13464 3/20 0.57
AXL P30530 1/20 0.48
IMPDH2 P12268 3/20 0.48
HAT1 O14929 3/20 0.46
EP300 Q09472 3/20 0.46
NR4A2 P43354 5/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL26701081 0.87 AXL (0.63) ROCK2ROCK1AXLIMPDH2HAT1
SCHEMBL6325476 0.86 NR4A2 (0.47) ROCK2ROCK1HAT1EP300NR4A2
SCHEMBL6332971 0.85 NR4A2 (0.65) ROCK2ROCK1HAT1EP300NR4A2
SCHEMBL26704632 0.83 IMPDH2 (0.51) ROCK2ROCK1IMPDH2HAT1EP300
SCHEMBL1763120 0.80 CYP2D6 (0.45) AXLNR4A2GSK3BHASPIN
SCHEMBL6029944 0.78 NR4A2 (0.73) NR4A2TUBB1
SCHEMBL29688274 0.77 NR4A2 (0.47) ROCK1AXLNR4A2HASPIN
SCHEMBL6334125 0.77 NR4A2 (0.74) NR4A2
SCHEMBL3236458 0.77 NR4A2 (0.47) ROCK1AXLNR4A2HASPIN
SCHEMBL6029933 0.77 NR4A2 (0.57) NR4A2TUBB1

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 ROCK2 393/4885ROCK1 220/4885AXL 3534/4885

“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.