SCHEMBL16028441

SCHEMBL16028441

Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1ccc(F)cc1)n2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.54
PIK3CG P48736 1/20 0.54
NPSR1 Q6W5P4 3/20 0.53
MAPT P10636 3/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PCSK9 Q8NBP7 2/20 0.50
KCNH2 Q12809 1/20 0.50
TRPC4 Q9UBN4 1/20 0.50
TRPC5 Q9UL62 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL16076076 0.95 PCSK9 (0.55) BRAFPIK3CGNPSR1MAPTHTT
SCHEMBL16028099 0.92 PCSK9 (0.52) NPSR1MAPTHTTTSHRALDH1A1
SCHEMBL16028970 0.92 BRAF (0.56) BRAFPIK3CGNPSR1MAPTHTT
SCHEMBL16076082 0.91 TRPC5 (0.58) NPSR1MAPTTSHRLMNAPCSK9
SCHEMBL16028859 0.91 TRPC5 (0.60) BRAFPIK3CGNPSR1MAPTHTT
SCHEMBL30171315 0.90 TRPC5 (0.53) BRAFPIK3CGNPSR1MAPTHTT
SCHEMBL16076075 0.90 TRPC5 (0.53) BRAFPIK3CGNPSR1MAPTHTT
SCHEMBL16028313 0.89 TRPC5 (0.52) BRAFPIK3CGMAPTHPGDADORA3
SCHEMBL16028166 0.89 MEN1 (0.58) BRAFPIK3CGMAPTHPGDADORA3
SCHEMBL16027740 0.89 BRAF (0.52) BRAFPIK3CGNPSR1MAPTHPGD

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
CN-107082782-B Substituted xanthines and methods of use thereof 海德拉生物科学有限责任公司 2020-03-20 CN disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 US disclosed
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 US disclosed
US-20180244674-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-08-30 US disclosed
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 US disclosed
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 US disclosed
US-9359359-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2016-06-07 US disclosed
US-9359359-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2016-06-07 US disclosed
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 WO disclosed
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 WO disclosed
WO-2014143799-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 WO disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275071-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 (8 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-20180244674-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 BRAF 2314/4885PIK3CG 3227/4885NPSR1 836/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 BRAF 2314/4885PIK3CG 3227/4885NPSR1 836/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 BRAF 2314/4885PIK3CG 3227/4885NPSR1 836/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 BRAF 2314/4885PIK3CG 3227/4885NPSR1 836/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 BRAF 2314/4885PIK3CG 3227/4885NPSR1 836/4885
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 BRAF 2314/4885PIK3CG 3227/4885NPSR1 836/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 BRAF 2314/4885PIK3CG 3227/4885NPSR1 836/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 BRAF 2314/4885PIK3CG 3227/4885NPSR1 836/4885

“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.