SCHEMBL16029191

SCHEMBL16029191

Cn1c(=O)c2[nH]c(Oc3cccc(OC(F)(F)F)c3)nc2n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.47
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PCSK9 Q8NBP7 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
SCHEMBL16028185 0.87 TRPC5 (0.47) PABPC1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL19375139 0.87 TRPC5 (0.43) PABPC1ADORA2BPCSK9
SCHEMBL16029010 0.87 MAOA (0.54) PABPC1ADORA2AADORA1KDM4ECYP1A2
SCHEMBL16324230 0.85 TRPC5 (0.44) ADORA2BPCSK9
SCHEMBL18833903 0.85 ADORA2A (0.45) ADORA2AADORA1ADORA3ADORA2BPCSK9
SCHEMBL16028156 0.85 TRPC5 (0.60) ADORA2BPCSK9
SCHEMBL18833837 0.84 GAA (0.42) KDM4ENPSR1HSD17B10
SCHEMBL16029182 0.84 TRPC5 (0.47) ADORA2AADORA1ADORA2BPCSK9
SCHEMBL18834529 0.84 TRPC5 (0.43) ADORA2AADORA1ADORA3ADORA2BPCSK9
SCHEMBL19505270 0.84 TRPC5 (0.56) ADORA2BPCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP 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
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
WO-2014152287-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-04-23 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PABPC1 891/4885ADORA2A 486/4885ADORA1 841/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PABPC1 891/4885ADORA2A 486/4885ADORA1 841/4885

“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.