SCHEMBL6500902

SCHEMBL6500902

COCc1cncc(-c2ccc3[nH]nc(-c4ncc[nH]4)c3c2)c1C

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 18/20 0.73
CDK4 P11802 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
CCND3 P30281 1/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL6508126 0.90 MAP3K8 (0.73) MAP3K8JAK2JAK1TYK2JAK3
SCHEMBL6508329 0.86 MAP3K8 (0.82) MAP3K8CCNA2CDK2
SCHEMBL6508070 0.84 MAP3K8 (1.00) MAP3K8CCNA2CDK2
SCHEMBL6505118 0.83 MAP3K8 (0.78) MAP3K8CCNA2CDK2
SCHEMBL6504369 0.79 MAP3K8 (0.77) MAP3K8CCNA2CDK2
SCHEMBL7167622 0.77 MAP3K8 (0.66) MAP3K8CDK4CCNA2CCND1CDK2
SCHEMBL6508291 0.76 MAP3K8 (0.59) MAP3K8CDK4CCNA2CCND1CDK2
SCHEMBL6509574 0.76 MAP3K8 (0.81) MAP3K8CCNA2CDK2
SCHEMBL12885955 0.75 MAP3K8 (0.85) MAP3K8CCNA2CDK2
SCHEMBL5521430 0.73 MAP3K8 (0.79) MAP3K8CDK4CCNA2CCND1CDK2

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-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 (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-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 143/4885CDK4 2/4885CCNA2 39/4885

“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.