SCHEMBL6500744

SCHEMBL6500744

CCCc1nc(-c2nn(C3CCCCO3)c3ccc(-c4cncc(CN(CC)C(=O)OC(C)(C)C)c4C)cc23)[nH]c1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 7/20 0.34
KRAS P01116 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 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 0.95 MAP3K8 (0.33) MAP3K8KRASHTR2CSLC6A4RXRA
SCHEMBL6504626 0.93 MAP3K8 (0.41) MAP3K8KRAS
SCHEMBL6502580 0.93 KRAS (0.33) MAP3K8KRASHTR2CSLC6A4RXRA
SCHEMBL6505280 0.91 HTR2C (0.32) MAP3K8KRASHTR2CSLC6A4RXRA
SCHEMBL6507148 0.90 MAP3K8 (0.40) MAP3K8KRASRXRARXRBRXRG
SCHEMBL6506250 0.89 KRAS (0.34) MAP3K8KRASHTR2CSLC6A4
SCHEMBL6508509 0.89 PTGDR2 (0.35) MAP3K8KRASHTR2CSLC6A4
SCHEMBL12886334 0.89 MAP3K8 (0.41) MAP3K8KRAS
SCHEMBL6505107 0.88 MAP3K8 (0.42) MAP3K8KRASRXRARXRBRXRG
SCHEMBL6512214 0.88 ATR (0.33) KRASHTR2CSLC6A4RXRARXRB

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 143/4885KRAS 130/4885HTR2C 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.