SCHEMBL953729

SCHEMBL953729

COc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MGLL Q99685 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
MAPT P10636 1/20 0.31
MET P08581 3/20 0.31
EGFR P00533 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 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
SCHEMBL952868 0.92 CDC7 (0.36) CTSAIRAK4MGLLCDC7DBF4
SCHEMBL953922 0.90 MAP4K1 (0.36) CTSASMN1; SMN2IRAK4
SCHEMBL956093 0.89 SMN1; SMN2 (0.38) SMN1; SMN2CDC7DBF4KDM4EKMT2A
SCHEMBL953870 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MGLLCDC7DBF4ADORA1
SCHEMBL956374 0.84 KMT2A (0.39) CTSASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL951780 0.84 HIF1A (0.39) SMN1; SMN2KDM4EJAK3MAPT
SCHEMBL958443 0.83 CDC7 (0.36) CTSASMN1; SMN2MGLLCDC7DBF4
SCHEMBL955283 0.82 CDC7 (0.36) CTSAIRAK4CDC7DBF4KDM4E
SCHEMBL951855 0.82 TSHR (0.36) CTSASMN1; SMN2IRAK4KDM4EKMT2A
SCHEMBL955904 0.82 CDC7 (0.40) SMN1; SMN2MGLLCDC7DBF4KDM4E

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-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP 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 CTSA 4641/4885SMN1; SMN2 3758/4885IRAK4 492/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CTSA 2410/4885SMN1; SMN2 3959/4885IRAK4 1110/4885

“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.