Sugi Predict

Sugi Predict / Compounds / SCHEMBL5846701

SCHEMBL5846701

SCHEMBL5846701

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc4c(F)cc(F)cc4[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CDK4 P11802 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ SSTR5 P35346 10/20 0.35
▸ MAP3K8 P41279 5/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL5847254 0.91 MAP3K8 (0.36) CDK1CCNB1CCNA2CDK2MAP3K8
SCHEMBL12886334 0.89 MAP3K8 (0.41) CDK1CCNA2CDK2CDK4MAP3K8
SCHEMBL6502580 0.89 KRAS (0.33) MAP3K8HTR2CSLC6A4
SCHEMBL6505280 0.88 HTR2C (0.32) MAP3K8HTR2CSLC6A4
SCHEMBL6504036 0.88 MAP3K8 (0.33) MAP3K8HTR2CSLC6A4
SCHEMBL6501988 0.87 HTR2C (0.32) HTR2CSLC6A4PTGDR2
SCHEMBL6500744 0.86 MAP3K8 (0.34) MAP3K8HTR2CSLC6A4
SCHEMBL6507148 0.86 MAP3K8 (0.40) MAP3K8
SCHEMBL6505107 0.86 MAP3K8 (0.42) MAP3K8
SCHEMBL6508509 0.86 PTGDR2 (0.35) MAP3K8HTR2CSLC6A4PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142345-A1 3,5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-06-29 — — US disclosed
US-20060116519-A1 Synthesis of 5-bromo-4-methyl-pyridin-3-ylmethyl)-ethyl-carbamic acid tert-butyl ester AGOURON PHARMACEUTICALS, INC. 2006-06-01 — — US disclosed
US-7008953-B2 3, 5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2006-03-07 — — US disclosed
US-20050026960-A1 3, 5 disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-02-03 — — 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 (3 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-20060116519-A1 Synthesis of 5-bromo-4-methyl-pyridin-3-ylmethyl)-ethyl-carbamic acid tert-butyl ester TERT, BRD4, PRMT5 CDK1 516/4885CCNB1 2583/4885CCNA2 1646/4885
US-20050026960-A1 3, 5 disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDKL3 CDK1 6/4885CCNB1 53/4885CCNA2 38/4885
US-20060142345-A1 3,5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDKL3 CDK1 6/4885CCNB1 53/4885CCNA2 38/4885

“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.