SCHEMBL21316308

SCHEMBL21316308

CC(C)Cc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 5/20 0.60
▸ TRPC4 Q9UBN4 2/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ TP53 P04637 1/20 0.56
▸ TRPC1 P48995 1/20 0.55
▸ P2RX3 P56373 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL28377891 0.89 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028393 0.89 TRPC5 (0.66) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18834149 0.89 ATM (0.54) TRPC5TRPC4KCNH2TP53MAPT
SCHEMBL16028537 0.89 TRPC5 (0.63) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18834872 0.88 TRPC5 (0.65) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028784 0.87 TRPC5 (0.64) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028290 0.86 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18834134 0.85 TRPC5 (0.58) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19375414 0.85 TRPC5 (0.62) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16027715 0.84 TRPC5 (0.61) TRPC5TRPC4KCNH2TP53TRPC1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 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.

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