SCHEMBL6504609

SCHEMBL6504609

Cc1c(N)cncc1-c1ccc2[nH]nc(-c3nc4c([nH]3)CCCC4)c2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 16/20 0.71
WNT1 P04628 2/20 0.45
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL6504369 0.85 MAP3K8 (0.77) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL6507621 0.83 MAP3K8 (0.76) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL6509322 0.83 MAP3K8 (1.00) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL5508159 0.82 MAP3K8 (0.63) MAP3K8WNT1CLK2CLK3DYRK1A
SCHEMBL6502024 0.78 MAP3K8 (0.55) MAP3K8WNT1CDK1CCNB1CCNA2
SCHEMBL6507308 0.77 MAP3K8 (0.83) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL6507878 0.74 MAP3K8 (0.50) MAP3K8WNT1CLK2CLK3DYRK1A
SCHEMBL5517489 0.73 MAP3K8 (0.51) MAP3K8WNT1CLK2CLK3DYRK1A
SCHEMBL6511342 0.73 CDK1 (0.46) MAP3K8WNT1CDK1CCNB1CCNA2
SCHEMBL6507542 0.72 MAP3K8 (0.53) MAP3K8WNT1CDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US claimed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 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 (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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 MAP3K8 143/4885WNT1 640/4885CDK1 4/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAP3K8 8/4885WNT1 4322/4885CDK1 63/4885

“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.