SCHEMBL6697589

SCHEMBL6697589

C(=Cc1n[nH]c2cc(-c3ccncc3)ccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 1.00
CDK4 P11802 6/20 1.00
CCNA2 P20248 6/20 1.00
CCND1 P24385 6/20 1.00
CDK2 P24941 6/20 1.00
CCND3 P30281 6/20 1.00
CDK1 P06493 5/20 1.00

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
SCHEMBL5252274 1.00 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5247485 0.96 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5250381 0.94 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5256521 0.92 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL7232225 0.92 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5251094 0.87 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5253201 0.86 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5248605 0.86 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5254645 0.86 CHEK1 (0.78) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5250748 0.86 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE KANIA ROBERT STEVEN (US) 2004-11-04 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-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 CHEK1 320/4885CDK4 10/4885CCNA2 642/4885

“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.