SCHEMBL6842929

SCHEMBL6842929

Cc1nc2ccc(CCCNC(=O)OC(C)(C)C)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.35
CKS1B P61024 2/20 0.33
SKP1 P63208 2/20 0.33
SKP2 Q13309 2/20 0.33
GABRA5 P31644 1/20 0.33
NAMPT P43490 2/20 0.33
METTL3 Q86U44 1/20 0.32
TTK P33981 2/20 0.32
BRD4 O60885 1/20 0.32
F2RL1 P55085 1/20 0.31

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
SCHEMBL6842948 0.96 METTL3 (0.35) ATRCKS1BSKP1SKP2GABRA5
SCHEMBL6842926 0.91 CKS1B (0.35) ATRCKS1BSKP1SKP2GABRA5
SCHEMBL6845041 0.88 F2RL1 (0.30) F2RL1
SCHEMBL952844 0.85 F2RL1 (0.35) CKS1BSKP1SKP2GABRA5F2RL1
SCHEMBL13256833 0.84 F2RL1 (0.32) F2RL1
SCHEMBL1048210 0.81 F2RL1 (0.38) GABRA5F2RL1
SCHEMBL954747 0.81 F2RL1 (0.37) METTL3F2RL1
SCHEMBL952687 0.80 AKT1 (0.35) F2RL1
SCHEMBL954329 0.80 F2RL1 (0.32) F2RL1
SCHEMBL6845113 0.79

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 ATR 1442/4885CKS1B 945/4885SKP1 1047/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ATR 2022/4885CKS1B 215/4885SKP1 922/4885

“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.