SCHEMBL6505280

SCHEMBL6505280

CCc1nc(-c2nn(C3CCCCO3)c3ccc(-c4cncc(CN(CC)C(=O)OC(C)(C)C)c4C)cc23)[nH]c1CC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
KRAS P01116 1/20 0.31
MAP3K8 P41279 2/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL6504036 0.94 MAP3K8 (0.33) HTR2CSLC6A4KRASMAP3K8RXRA
SCHEMBL6504626 0.91 MAP3K8 (0.41) KRASMAP3K8
SCHEMBL6500744 0.91 MAP3K8 (0.34) HTR2CSLC6A4KRASMAP3K8RXRA
SCHEMBL6502580 0.91 KRAS (0.33) HTR2CSLC6A4KRASMAP3K8RXRA
SCHEMBL12886334 0.89 MAP3K8 (0.41) KRASMAP3K8
SCHEMBL5847254 0.89 MAP3K8 (0.36) HTR2CSLC6A4KRASMAP3K8
SCHEMBL6505107 0.89 MAP3K8 (0.42) KRASMAP3K8RXRARXRBRXRG
SCHEMBL6507148 0.89 MAP3K8 (0.40) KRASMAP3K8RXRARXRBRXRG
SCHEMBL5846701 0.88 CDK1 (0.43) HTR2CSLC6A4MAP3K8
SCHEMBL6506250 0.87 KRAS (0.34) HTR2CSLC6A4KRASMAP3K8

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

“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.