SCHEMBL951910

SCHEMBL951910

Cc1nn2ccccc2c1-c1nc(-c2ccccc2[N+](=O)[O-])c(-c2nc[nH]n2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.35
CFTR P13569 1/20 0.33
PLK1 P53350 1/20 0.31
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALPL P05186 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
VCP P55072 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
SCHEMBL952732 0.85 VCP (0.32) GAAMAPTMEN1NPC1RAB9A
SCHEMBL6842664 0.85 VCP (0.32) F2RL3MAPTKMT2AALDH1A1HPGD
SCHEMBL6842807 0.84 VCP (0.32) VCP
SCHEMBL6842742 0.83 F2RL3 (0.34) F2RL3ALDH1A1VCP
SCHEMBL956759 0.82 VCP (0.31) VCP
SCHEMBL955918 0.82 VCP (0.35) VCP
SCHEMBL12918261 0.81 VCP (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1APOBEC3G
SCHEMBL6845056 0.81 PIK3CD (0.33) VCP
SCHEMBL6842794 0.81 VCP (0.33) GAAMAPTSMN1; SMN2VCP
SCHEMBL6842815 0.81 GRM5 (0.32) VCP

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 1357/4885PLK1 558/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 F2RL3 2057/4885CFTR 3983/4885PLK1 1770/4885

“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.