SCHEMBL6842948

SCHEMBL6842948

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.35
GABRA5 P31644 3/20 0.33
TTK P33981 4/20 0.33
CKS1B P61024 2/20 0.33
SKP1 P63208 2/20 0.33
SKP2 Q13309 2/20 0.33
ATR Q13535 3/20 0.32
F2RL1 P55085 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
S1PR1 P21453 1/20 0.32
IGF1R P08069 1/20 0.31
ABL1 P00519 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
SCHEMBL6842929 0.96 ATR (0.35) METTL3GABRA5TTKCKS1BSKP1
SCHEMBL6842926 0.92 CKS1B (0.35) GABRA5TTKCKS1BSKP1SKP2
SCHEMBL952844 0.86 F2RL1 (0.35) GABRA5CKS1BSKP1SKP2F2RL1
SCHEMBL6845041 0.85 F2RL1 (0.30) F2RL1
SCHEMBL13256833 0.85 F2RL1 (0.32) F2RL1ABL1
SCHEMBL1048210 0.82 F2RL1 (0.38) GABRA5F2RL1ABL1
SCHEMBL954747 0.81 F2RL1 (0.37) METTL3F2RL1
SCHEMBL952687 0.81 AKT1 (0.35) F2RL1ABL1
SCHEMBL954329 0.81 F2RL1 (0.32) F2RL1
SCHEMBL6845113 0.80

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 8 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-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
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO 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 METTL3 862/4885GABRA5 2414/4885TTK 542/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 METTL3 3571/4885GABRA5 3620/4885TTK 1825/4885

“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.