SCHEMBL19505265

SCHEMBL19505265

Cc1cncc(Oc2nc3c(n2COCC[Si](C)(C)C)C(=O)N(CCCOC2CCCCO2)C(O)N3C)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.35
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL20432311 0.89 P2RX3 (0.36) P2RX3NPC1RAB9AMEN1KMT2A
SCHEMBL16028130 0.78 P2RX3 (0.36) P2RX3NPC1RAB9AMEN1KMT2A
SCHEMBL22105453 0.71 MEN1 (0.35) P2RX3MEN1KMT2A
SCHEMBL18833895 0.69 THRB (0.41) P2RX3NPC1RAB9AMEN1KMT2A
SCHEMBL21499674 0.69 TRPC4 (0.41) P2RX3
SCHEMBL19375462 0.68 P2RX3 (0.46) P2RX3
SCHEMBL20432337 0.68 P2RX3 (0.46) P2RX3
SCHEMBL21499666 0.67 P2RX3 (0.43) P2RX3
SCHEMBL19375035 0.66 P2RX3 (0.44) P2RX3
SCHEMBL20656224 0.66 P2RX3 (0.46) P2RX3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 P2RX3 30/4885NPC1 988/4885RAB9A 3823/4885

“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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