SCHEMBL6842899

SCHEMBL6842899

Cc1nn2ccccc2c1-c1nc(-c2ccccc2F)c(-c2nnc[nH]2)s1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
DCTPP1 Q9H773 2/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
APEX1 P27695 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
Acetic Acid SCHEMBL953587 0.95 DCTPP1 (0.32) PTGS2DCTPP1
SCHEMBL6845130 0.94 HSD11B1 (0.30) PDE2APDE10A
SCHEMBL12918300 0.91
SCHEMBL6845068 0.91 PTGS1 (0.36) PTGS2
SCHEMBL954213 0.89 HSD11B1 (0.33)
SCHEMBL6842915 0.89 PDE5A (0.30)
SCHEMBL952821 0.89 PDE5A (0.32) PTGS2PDE2APDE10A
SCHEMBL953052 0.87 TSHR (0.35) PDE2APDE10A
SCHEMBL953754 0.87 MAPK14 (0.42) PTGS2
SCHEMBL956236 0.86 IGF1R (0.35) PTGS2

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 9 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-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-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
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 PTGS2 2116/4885DCTPP1 773/4885PDE2A 1275/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PTGS2 310/4885DCTPP1 4389/4885PDE2A 2523/4885

“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.