SCHEMBL21499684

SCHEMBL21499684

CCOc1nc2c(n1Cc1ccc(Cl)cc1)C(=O)N(CCCO)C(O)N2CC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 11/20 0.44
▸ PDE5A O76074 6/20 0.43
▸ KCNH2 Q12809 1/20 0.37
▸ TRPC4 Q9UBN4 1/20 0.37
▸ TRPC5 Q9UL62 1/20 0.37
▸ TP53 P04637 1/20 0.35

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
SCHEMBL19505233 0.94 P2RX3 (0.45) P2RX3PDE5AKCNH2TRPC4TRPC5
SCHEMBL19374881 0.91 P2RX3 (0.44) P2RX3PDE5AKCNH2TRPC4TRPC5
SCHEMBL19505418 0.91 PDE5A (0.42) P2RX3PDE5A
SCHEMBL19375680 0.87 TRPC4 (0.46) P2RX3PDE5AKCNH2TRPC4TRPC5
SCHEMBL20432416 0.87 P2RX3 (0.39) P2RX3PDE5AKCNH2TRPC4TRPC5
SCHEMBL20432487 0.87 P2RX3 (0.46) P2RX3PDE5A
SCHEMBL19375611 0.86 TRPC4 (0.41) P2RX3PDE5AKCNH2TRPC4TRPC5
SCHEMBL18834232 0.84 P2RX3 (0.43) P2RX3PDE5AKCNH2TRPC4TRPC5
SCHEMBL21316262 0.84 P2RX3 (0.41) P2RX3PDE5AKCNH2TRPC4TRPC5
SCHEMBL21499654 0.84 P2RX3 (0.40) P2RX3PDE5AKCNH2TRPC4TRPC5

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 30/4885PDE5A 461/4885KCNH2 70/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 P2RX3 30/4885PDE5A 461/4885KCNH2 70/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 P2RX3 30/4885PDE5A 461/4885KCNH2 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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