SCHEMBL21499683

SCHEMBL21499683

Cc1cc(Oc2nc3c(n2Cc2ccc(Cl)cc2)C(=O)N(CCCO)C(O)N3C)ccn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 18/20 0.51
▸ TRPC4 Q9UBN4 2/20 0.43
▸ TRPC5 Q9UL62 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TRPC1 P48995 1/20 0.40

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
SCHEMBL18834916 0.89 TRPC4 (0.45) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL19505249 0.88 TRPC5 (0.49) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL22619613 0.87 TRPC5 (0.57) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL21316297 0.87 TRPC4 (0.42) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL19505500 0.87 TRPC5 (0.50) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL19505572 0.86 TRPC4 (0.47) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL21499674 0.85 TRPC4 (0.41) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL19374906 0.85 TRPC5 (0.49) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL19375568 0.85 TRPC4 (0.43) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL21499648 0.85 TRPC4 (0.40) P2RX3TRPC4TRPC5KCNH2TRPC1

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 3 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

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

For each of this compound's patents that has machine-readable text (3 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 P2RX3 30/4885TRPC4 3/4885TRPC5 1/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 P2RX3 30/4885TRPC4 3/4885TRPC5 1/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 P2RX3 30/4885TRPC4 3/4885TRPC5 1/4885

“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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