SCHEMBL18833769

SCHEMBL18833769

CC(O)CCn1c(=O)c2[nH]c(Br)nc2n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6355685 0.92 PDE4A (0.41) GAAMAPTADORA2ANPSR1
SCHEMBL6355684 0.92 PDE4A (0.41) GAAMAPTADORA2ANPSR1
SCHEMBL28310651 0.85 PDE4A (0.47) ADORA2A
SCHEMBL16027743 0.82 ADORA2A (0.49) MAPTADORA2AADORA2B
SCHEMBL27604724 0.82 PDE4A (0.39) ADORA2A
SCHEMBL27604723 0.82 PDE4A (0.39) ADORA2A
SCHEMBL18834194 0.81 HSD17B10 (0.49) ADORA2B
SCHEMBL4707209 0.79 GAA (0.40) GAAADORA2AADORA2B
SCHEMBL4707211 0.79 GAA (0.40) GAAADORA2AADORA2B
SCHEMBL18833826 0.78 ADORA2A (0.46) ADORA2AADORA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 US disclosed
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 EP 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 (1 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-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 GAA 2882/4885MAPT 2951/4885ADORA2A 486/4885

“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.