SCHEMBL22105453

SCHEMBL22105453

CCN1c2ncn(COCC[Si](C)(C)C)c2C(=O)N(CCCOC2CCCCO2)C1O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TGFBR1 P36897 2/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ P2RX3 P56373 2/20 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
SCHEMBL24495599 0.74 ADORA2A (0.39) MEN1KMT2ATGFBR1TGFBR2P2RX3
SCHEMBL24095615 0.73 ALDH1A1 (0.39) MEN1KMT2ATGFBR1P2RX3
SCHEMBL19505265 0.71 P2RX3 (0.35) MEN1KMT2AP2RX3
SCHEMBL25996795 0.68 P2RX3 (0.39) P2RX3
SCHEMBL19375462 0.66 P2RX3 (0.46) P2RX3
SCHEMBL20786627 0.65 DGAT1 (0.30) —
SCHEMBL20787899 0.65 TRPA1 (0.35) P2RX3
SCHEMBL22105454 0.65 ADORA2A (0.38) TGFBR1TGFBR2P2RX3
SCHEMBL20432337 0.65 P2RX3 (0.46) P2RX3
SCHEMBL21527477 0.64 ALDH1A1 (0.34) MEN1KMT2A

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-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-14 — — US disclosed
US-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — 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 (2 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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 MEN1 3286/4885KMT2A 4474/4885TGFBR1 1755/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 MEN1 4208/4885KMT2A 4085/4885TGFBR1 1221/4885

“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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