SCHEMBL22105553

SCHEMBL22105553

CCN1c2nc(-c3ccc(OC)nc3C)n(Cc3ccccc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.40
▸ PDE5A O76074 7/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL22105716 0.88 ADORA3 (0.33) ADORA3PDE5APDE4APDE4BPDE4C
SCHEMBL22105423 0.81 P2RX3 (0.35) PDE5A
SCHEMBL22105742 0.81 P2RX3 (0.33) PDE5A
SCHEMBL24091847 0.81 P2RX3 (0.31) —
SCHEMBL24495601 0.81 P2RX3 (0.31) —
SCHEMBL24495686 0.80 PDE5A (0.37) ADORA3PDE5APDE4APDE4BPDE4C
SCHEMBL24495689 0.80 P2RX3 (0.35) PDE5A
SCHEMBL24091844 0.80 P2RX3 (0.31) —
SCHEMBL22105531 0.79 ADORA3 (0.33) ADORA3PDE5APDE4APDE4BPDE4C
SCHEMBL19505418 0.79 PDE5A (0.42) ADORA3PDE5AMEN1KMT2ATSHR

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 ADORA3 114/4885PDE5A 468/4885MEN1 3286/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 ADORA3 175/4885PDE5A 354/4885MEN1 4208/4885

“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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