SCHEMBL6842736

SCHEMBL6842736

Cc1ccc(COc2ccn3nc(C)c(-c4nc(-c5ccccc5)c(-c5nnc[nH]5)s4)c3c2)cn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.33
PPARD Q03181 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
SCHEMBL958147 0.92 PPARD (0.34) MCHR1PPARD
SCHEMBL6845038 0.91 MCHR1 (0.35) MCHR1PPARD
SCHEMBL16937961 0.89 MCHR1 (0.33) MCHR1PPARD
SCHEMBL952612 0.86 ROCK1 (0.32) PPARD
SCHEMBL13256642 0.85 FGFR1 (0.31)
SCHEMBL952694 0.84 LDHA (0.34) PPARD
SCHEMBL6842766 0.82 HRH3 (0.35)
SCHEMBL953783 0.81 HRH3 (0.42)
SCHEMBL6842761 0.81 HRH3 (0.35)
SCHEMBL952536 0.81

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 MCHR1 3674/4885PPARD 804/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MCHR1 1662/4885PPARD 603/4885

“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.