SCHEMBL953906

SCHEMBL953906

Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2Cl)c(-c2nc[nH]n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 4/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
VCP P55072 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL956234 0.94 VCP (0.33) VCP
SCHEMBL952765 0.89 ALDH1A1 (0.35) PDE2APDE10AHTTALDH1A1MAPT
SCHEMBL957617 0.89 MAP4K1 (0.38) VCP
SCHEMBL6842664 0.87 VCP (0.32) ALDH1A1MAPTVCPHPGDTSHR
SCHEMBL952537 0.87 HCRTR1 (0.31) VCP
SCHEMBL956759 0.87 VCP (0.31) VCP
SCHEMBL955918 0.86 VCP (0.35) VCP
SCHEMBL955572 0.84 VCP (0.32) LMNAKDM4EALDH1A1MAPTRECQL
SCHEMBL6845056 0.83 PIK3CD (0.33) VCP
SCHEMBL6842809 0.83 EGFR (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 15 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-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-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-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
US-20110003806-A1 Heteroaryls and uses thereof 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
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 PDE2A 1275/4885PDE10A 964/4885SMN1; SMN2 3758/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PDE2A 2523/4885PDE10A 2771/4885SMN1; SMN2 3959/4885

“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.