SCHEMBL18833941

SCHEMBL18833941

CCOCCCc1nc2c(c(=O)n(CCCOPI)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.47
▸ TRPC5 Q9UL62 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TSHR P16473 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ TRPC1 P48995 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALOX12 P18054 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
SCHEMBL16076223 0.90 MAPT (0.53) TRPC4TRPC5KCNH2TSHRPOLB
SCHEMBL19505245 0.89 TRPC5 (0.57) TRPC4TRPC5KCNH2TSHRPOLB
SCHEMBL16068298 0.88 TRPC5 (0.60) TRPC4TRPC5KCNH2TSHRPOLB
SCHEMBL19505419 0.83 TRPC4 (0.49) TRPC4TRPC5KCNH2TSHRPOLB
SCHEMBL19505592 0.83 TRPC4 (0.49) TRPC4TRPC5KCNH2TSHRPOLB
SCHEMBL21499673 0.83 SMN1; SMN2 (0.54) TRPC4TRPC5KCNH2TSHRPOLB
SCHEMBL19505568 0.82 TSHR (0.67) TRPC4TRPC5KCNH2TSHRPOLB
SCHEMBL16028111 0.82 P2RX3 (0.48) TRPC4TRPC5KCNH2TSHRPOLB
SCHEMBL19505498 0.82 TRPC5 (0.63) TRPC4TRPC5KCNH2SMN1; SMN2ALDH1A1
SCHEMBL19505260 0.82 TSHR (0.53) TRPC4TRPC5KCNH2TSHRPOLB

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
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 (5 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 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885

“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.

Send feedback