SCHEMBL6503689

SCHEMBL6503689

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4cccc(F)c4)c[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAP3K8 P41279 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ABCB1 P08183 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ATR Q13535 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL6501988 0.95 HTR2C (0.32) HTR2CSLC6A4
SCHEMBL6503816 0.95 RXRA (0.31)
SCHEMBL6511299 0.93 TSPO (0.32) CLK2
SCHEMBL6506206 0.91 TSPO (0.32)
SCHEMBL6504585 0.91 AAK1 (0.31)
SCHEMBL5847254 0.87 MAP3K8 (0.36) MAP3K8HTR2CSLC6A4
SCHEMBL6507148 0.86 MAP3K8 (0.40) MAP3K8ATR
SCHEMBL6503321 0.86 FGFR1 (0.33) ABCB1ABCG2ATRCLK2CLK3
SCHEMBL6502580 0.86 KRAS (0.33) MAP3K8HTR2CSLC6A4ATR
SCHEMBL6508505 0.86 MAP3K8 (0.38) MAP3K8HTR2CSLC6A4ATR

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 GAA 3298/4885MAP3K8 143/4885HTR2C 3032/4885

“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.