SCHEMBL6508762

SCHEMBL6508762

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ABL1 P00519 1/20 0.33
ATR Q13535 5/20 0.33
FGFR1 P11362 1/20 0.31
DDR2 Q16832 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL6508663 0.87 MAP3K8 (0.39) KRASRXRARXRBRXRGABL1
SCHEMBL6505280 0.86 HTR2C (0.32) KRASRXRARXRBRXRG
SCHEMBL6508905 0.84 ABL1 (0.32) KRASRXRARXRBRXRGABL1
SCHEMBL6503321 0.83 FGFR1 (0.33) RXRARXRBRXRGABL1ATR
SCHEMBL6510318 0.81 ABL1 (0.36) KRASRXRARXRBRXRGABL1
SCHEMBL6504036 0.81 MAP3K8 (0.33) KRASRXRARXRBRXRGATR
SCHEMBL5847251 0.77 BRD4 (0.34) KRASRXRARXRBRXRGATR
SCHEMBL6504626 0.77 MAP3K8 (0.41) KRAS
SCHEMBL6500744 0.77 MAP3K8 (0.34) KRASRXRARXRBRXRG
SCHEMBL6502580 0.76 KRAS (0.33) KRASRXRARXRBRXRGATR

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 130/4885RXRA 2748/4885RXRB 2441/4885

“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.