SCHEMBL6842795

SCHEMBL6842795

Cc1cccc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2nc[nH]n2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.35
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
VCP P55072 1/20 0.32
KDR P35968 1/20 0.32
POLB P06746 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL6842801 0.93 VCP (0.33) VCP
SCHEMBL6842803 0.89 BRD4 (0.35) MAPK14KDR
SCHEMBL6845139 0.89 ALDH1A1 (0.35) MAPK14
SCHEMBL6842805 0.87 KDM5B (0.38) MAPK14PDE10A
SCHEMBL955918 0.87 VCP (0.35) VCP
SCHEMBL6842787 0.86 IGF1R (0.39) NPSR1VCPKDR
SCHEMBL6842804 0.85 VCP (0.36) MAPK14VCP
SCHEMBL6842716 0.85 VCP (0.32) VCP
SCHEMBL6842651 0.85 PTGS2 (0.33) VCP
SCHEMBL956234 0.85 VCP (0.33) 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 4 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
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

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 MAPK14 102/4885TSHR 1608/4885NPSR1 3635/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885TSHR 2433/4885NPSR1 1952/4885

“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.