SCHEMBL6675836

SCHEMBL6675836

COc1cc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 1.00
CHEK2 O96017 2/20 0.84
TUBB4A P04350 1/20 0.84
TUBB P07437 1/20 0.84
TUBA3C P0DPH7 1/20 0.84
TUBA1B P68363 1/20 0.84
TUBA4A P68366 1/20 0.84
TUBB4B P68371 1/20 0.84
TUBB3 Q13509 1/20 0.84
TUBB2A Q13885 1/20 0.84
TUBB8 Q3ZCM7 1/20 0.84
TUBA3E Q6PEY2 1/20 0.84
TUBA1A Q71U36 1/20 0.84
TUBA1C Q9BQE3 1/20 0.84
TUBB6 Q9BUF5 1/20 0.84
TUBB2B Q9BVA1 1/20 0.84
TUBB1 Q9H4B7 1/20 0.84
TLK2 Q86UE8 4/20 0.67
PDPK1 O15530 6/20 0.65
PDGFRB P09619 3/20 0.63

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
SCHEMBL6675828 1.00 CHEK1 (1.00) CHEK1CHEK2TUBB4ATUBBTUBA3C
SCHEMBL6674605 0.92 CHEK1 (1.00) CHEK1CHEK2TUBB4ATUBBTUBA3C
SCHEMBL31061315 0.92 CHEK1 (1.00) CHEK1CHEK2TUBB4ATUBBTUBA3C
SCHEMBL6674608 0.92 CHEK1 (1.00) CHEK1CHEK2TUBB4ATUBBTUBA3C
SCHEMBL5728679 0.81 TLK2 (1.00) CHEK1CHEK2TUBB4ATUBBTUBA3C
SCHEMBL5728676 0.81 TLK2 (1.00) CHEK1CHEK2TUBB4ATUBBTUBA3C
SCHEMBL5728025 0.79 TLK2 (1.00) CHEK1CHEK2TLK2PDPK1PDGFRB
SCHEMBL5728024 0.79 TLK2 (1.00) CHEK1CHEK2TLK2PDPK1PDGFRB
SCHEMBL6671398 0.78 CHEK1 (0.76) CHEK1CHEK2TUBB4ATUBBTUBA3C
SCHEMBL6671402 0.78 CHEK1 (0.76) CHEK1CHEK2TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162785-A1 Protein kinase inhibitors ABBVIE INC. 2003-08-28 US claimed
US-20030119839-A1 Protein kinase inhibitors ABBOTT LABORATORIES 2003-06-26 US claimed
US-6797825-B2 1,3-DIHYDRO-2H-INDOL- 2-ONE DERIVATIVES ABBOTT LABORATORIES 2004-09-28 US disclosed
EP-1453800-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2004-09-08 EP disclosed
US-20030162785-A1 Protein kinase inhibitors ABBVIE INC. 2003-08-28 US disclosed
US-20030119839-A1 Protein kinase inhibitors ABBOTT LABORATORIES 2003-06-26 US disclosed
WO-2003051838-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-06-26 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-20030162785-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 CHEK1 139/4885CHEK2 93/4885TUBB4A 1671/4885
US-20030119839-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 CHEK1 139/4885CHEK2 93/4885TUBB4A 1671/4885

“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.