SCHEMBL22105360

SCHEMBL22105360

Cc1nc(Cl)ccc1-c1nc2c(n1Cc1ccccc1)C(=O)NC(O)N2C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 18/20 0.37
▸ FKBP1A P62942 2/20 0.36
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33

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
SCHEMBL22105455 0.84 KMT2A (0.33) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL22105364 0.72 TPH1 (0.51) —
SCHEMBL22105372 0.66 ALDH1A1 (0.32) PDE5A
SCHEMBL22105458 0.63 KDM4E (0.57) —
SCHEMBL22105713 0.63 ALDH1A1 (0.50) —
SCHEMBL22105780 0.61 ALDH1A1 (0.38) —
SCHEMBL21316270 0.60 F11 (0.37) PDE5A
SCHEMBL22105567 0.58 TSHR (0.45) —
SCHEMBL235974 0.57 PDE5A (0.81) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7440296 0.57 PDE5A (0.81) PDE5APDE4APDE4BPDE4CPDE4D

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 PDE5A 468/4885FKBP1A 1635/4885PDE4A 756/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 PDE5A 354/4885FKBP1A 2756/4885PDE4A 682/4885

“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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