SCHEMBL6506250

SCHEMBL6506250

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4cc(Cl)cc(Cl)c4)c(C)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAP3K8 P41279 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL6507148 0.93 MAP3K8 (0.40) KRASMAP3K8
SCHEMBL6502580 0.92 KRAS (0.33) KRASHTR2CSLC6A4MAP3K8
SCHEMBL6508509 0.91 PTGDR2 (0.35) KRASHTR2CSLC6A4MAP3K8PTGDR2
SCHEMBL6504036 0.90 MAP3K8 (0.33) KRASHTR2CSLC6A4MAP3K8
SCHEMBL6500744 0.89 MAP3K8 (0.34) KRASHTR2CSLC6A4MAP3K8
SCHEMBL6506433 0.89 FGFR1 (0.35) KRASMAP3K8PTGDR2
SCHEMBL6504626 0.88 MAP3K8 (0.41) KRASMAP3K8
SCHEMBL12886334 0.87 MAP3K8 (0.41) KRASMAP3K8
SCHEMBL6505280 0.87 HTR2C (0.32) KRASHTR2CSLC6A4MAP3K8
SCHEMBL6505107 0.87 MAP3K8 (0.42) KRASMAP3K8

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 KRAS 130/4885HTR2C 3032/4885SLC6A4 4689/4885

“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.