SCHEMBL840995

SCHEMBL840995

CC(C)c1n[nH]nc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
KCNMA1 Q12791 8/20 0.33

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
SCHEMBL12510391 0.71
SCHEMBL11025396 0.71 MASP2 (0.35)
SCHEMBL23989453 0.67 KMT2A (0.35)
SCHEMBL28119175 0.67 ADORA3 (0.36)
SCHEMBL31046830 0.67 ADORA3 (0.36)
SCHEMBL28131229 0.64 IRAK4 (0.37)
SCHEMBL282242 0.64 MAPK1 (0.35)
SCHEMBL15601779 0.64 PRKAB2 (0.38)
SCHEMBL27452654 0.63 MEN1 (0.40)
SCHEMBL27439434 0.63 MEN1 (0.37)

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-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-7956082-B2 Indole derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD (JP) 2011-06-07 US disclosed
US-7956082-B2 Indole derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD (JP) 2011-06-07 US disclosed
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity SHIONOGI & CO., LTD. (JP) 2009-01-29 US disclosed
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity SHIONOGI & CO., LTD. (JP) 2009-01-29 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 (3 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-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 IDO1 39/4885KCNMA1 1600/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 IDO1 225/4885KCNMA1 792/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 IDO1 19/4885KCNMA1 480/4885

“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.