SCHEMBL16029596

SCHEMBL16029596

C=C(CC(=O)OCC)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
GAA P10253 3/20 0.48
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
PABPC1 P11940 1/20 0.42

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
SCHEMBL516012 0.78 POLB (0.65) POLBGAARXFP1ALDH1A1CYP1A2
SCHEMBL16029602 0.76 ALDH1A1 (0.67) POLBRXFP1ALDH1A1CYP1A2CYP2C19
SCHEMBL24559148 0.75 KMT2A (0.62) POLBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL16029343 0.74 GAA (0.48) POLBGAAHTTALDH1A1CYP1A2
SCHEMBL3369548 0.73 ADORA2B (0.58) POLBALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL5471123 0.73 POLB (0.56) POLBRXFP1ALDH1A1CYP1A2CYP2C19
SCHEMBL3802049 0.73 POLB (0.61) POLBGAARXFP1HTTALDH1A1
SCHEMBL22522002 0.73 HTT (0.54) POLBGAARXFP1HTTALDH1A1
SCHEMBL16029861 0.72 POLB (0.56) POLBGAARXFP1ALDH1A1CYP1A2
SCHEMBL24559141 0.71 MEN1 (0.53) POLBGAAHTTALDH1A1CYP1A2

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 8 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
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 POLB 3162/4885GAA 2882/4885RXFP1 1171/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 POLB 3162/4885GAA 2882/4885RXFP1 1171/4885

“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.