SCHEMBL5728679

SCHEMBL5728679

COc1cc2c(cc1OC)C(=Cc1ccc[nH]1)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 7/20 1.00
PDPK1 O15530 7/20 0.71
CHEK1 O14757 3/20 0.67
CHEK2 O96017 1/20 0.67
TUBB4A P04350 1/20 0.67
TUBB P07437 1/20 0.67
TUBA3C P0DPH7 1/20 0.67
TUBA1B P68363 1/20 0.67
TUBA4A P68366 1/20 0.67
TUBB4B P68371 1/20 0.67
TUBB3 Q13509 1/20 0.67
TUBB2A Q13885 1/20 0.67
TUBB8 Q3ZCM7 1/20 0.67
TUBA3E Q6PEY2 1/20 0.67
TUBA1A Q71U36 1/20 0.67
TUBA1C Q9BQE3 1/20 0.67
TUBB6 Q9BUF5 1/20 0.67
TUBB2B Q9BVA1 1/20 0.67
TUBB1 Q9H4B7 1/20 0.67
KDR P35968 5/20 0.65

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
SCHEMBL5728676 1.00 TLK2 (1.00) TLK2PDPK1CHEK1CHEK2TUBB4A
SCHEMBL5728025 0.83 TLK2 (1.00) TLK2PDPK1CHEK1CHEK2KDR
SCHEMBL5728118 0.83 TLK2 (1.00) TLK2PDPK1CHEK1CHEK2TUBB4A
SCHEMBL5728114 0.83 TLK2 (1.00) TLK2PDPK1CHEK1CHEK2TUBB4A
SCHEMBL5728024 0.83 TLK2 (1.00) TLK2PDPK1CHEK1CHEK2KDR
SCHEMBL6675836 0.81 CHEK1 (1.00) TLK2PDPK1CHEK1CHEK2TUBB4A
SCHEMBL6675828 0.81 CHEK1 (1.00) TLK2PDPK1CHEK1CHEK2TUBB4A
SCHEMBL31061315 0.81 CHEK1 (1.00) TLK2PDPK1CHEK1CHEK2TUBB4A
SCHEMBL6674608 0.81 CHEK1 (1.00) TLK2PDPK1CHEK1CHEK2TUBB4A
SCHEMBL6674605 0.81 CHEK1 (1.00) TLK2PDPK1CHEK1CHEK2TUBB4A

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
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP claimed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO claimed
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 US claimed
US-7105563-B2 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP disclosed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 US 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-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer PDK3, PDK2, PDK4 TLK2 847/4885PDPK1 4/4885CHEK1 389/4885

“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.