SCHEMBL951945

SCHEMBL951945

Cc1nn2ccccc2c1-c1nc(-c2ccccc2[N+](=O)[O-])c(C(N)=O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.38
CFTR P13569 1/20 0.36
CDC7 O00311 5/20 0.36
DBF4 Q9UBU7 4/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
EIF4E P06730 1/20 0.33
PDE4B Q07343 1/20 0.32
HPGD P15428 1/20 0.32
DDX3X O00571 1/20 0.32

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
SCHEMBL952871 0.91 F2RL3 (0.38) F2RL3CFTRMGAMGAASI
SCHEMBL956417 0.84 CDC7 (0.51) CDC7DBF4CCNE1CDK2KMT2A
SCHEMBL953082 0.84 CDC7 (0.42) CDC7DBF4CCNE1CDK2GAA
SCHEMBL954019 0.83 HTT (0.39) CDC7DBF4CCNE1CDK2GAA
SCHEMBL952856 0.83 CDC7 (0.54) F2RL3CDC7DBF4CCNE1CDK2
SCHEMBL955337 0.82 CDC7 (0.46) CDC7DBF4CCNE1CDK2KMT2A
SCHEMBL953497 0.82 CDC7 (0.39) CDC7DBF4CCNE1CDK2GAA
SCHEMBL952241 0.82 CDC7 (0.52) CDC7DBF4CCNE1CDK2GAA
SCHEMBL955010 0.79 CDC7 (0.40) F2RL3CDC7DBF4CCNE1CDK2
SCHEMBL953770 0.79 CDC7 (0.42) F2RL3CDC7DBF4CCNE1CDK2

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 F2RL3 4796/4885CFTR 1357/4885CDC7 601/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 F2RL3 2057/4885CFTR 3983/4885CDC7 1063/4885

“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.