SCHEMBL16079048

SCHEMBL16079048

CCCOCCOc1nc2c(c(=O)n(CCCOC3CCCCO3)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ P2RX3 P56373 13/20 0.47
▸ TRPC4 Q9UBN4 2/20 0.45
▸ TRPC5 Q9UL62 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TRPC1 P48995 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL16028188 0.90 P2RX3 (0.47) SMN1; SMN2MAPK1L3MBTL1P2RX3TRPC4
SCHEMBL16028291 0.90 P2RX3 (0.51) SMN1; SMN2MAPK1L3MBTL1P2RX3TRPC4
SCHEMBL16028167 0.87 P2RX3 (0.49) SMN1; SMN2P2RX3TRPC4TRPC5KCNH2
SCHEMBL18833876 0.85 P2RX3 (0.53) SMN1; SMN2P2RX3TRPC4TRPC5KCNH2
SCHEMBL18834594 0.85 P2RX3 (0.51) SMN1; SMN2P2RX3TRPC4TRPC5KCNH2
SCHEMBL16028111 0.85 P2RX3 (0.48) SMN1; SMN2MAPK1L3MBTL1P2RX3TRPC4
SCHEMBL16076245 0.85 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL16363504 0.85 P2RX3 (0.46) SMN1; SMN2P2RX3TRPC4TRPC5KCNH2
SCHEMBL16364269 0.85 P2RX3 (0.49) SMN1; SMN2P2RX3TRPC4TRPC5KCNH2
SCHEMBL16079033 0.85 TRPC5 (0.62) SMN1; SMN2P2RX3TRPC4TRPC5KCNH2

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
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-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-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 — — US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 — — US disclosed
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 — — 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 (7 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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885L3MBTL1 1412/4885
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885L3MBTL1 1412/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885L3MBTL1 1412/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885L3MBTL1 1412/4885
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885L3MBTL1 1412/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885L3MBTL1 1412/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885L3MBTL1 1412/4885

“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.

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