SCHEMBL22105455

SCHEMBL22105455

CCN1c2nc(-c3ccc(Cl)nc3C)n(Cc3ccccc3)c2C(=O)NC1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ HPGD P15428 4/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL22105360 0.84 PDE5A (0.37) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL22105372 0.80 ALDH1A1 (0.32) KMT2AALDH1A1HTTPDE5ALMNA
SCHEMBL22105780 0.76 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL22105567 0.73 TSHR (0.45) ALDH1A1GAASMN1; SMN2TSHRBRD4
SCHEMBL22105458 0.69 KDM4E (0.57) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL21027604 0.69 TPH1 (0.58) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL22105553 0.68 ADORA3 (0.40) KMT2AMEN1HPGDPDE5ASMN1; SMN2
SCHEMBL21027845 0.68 TPH1 (0.57) PDE5A
SCHEMBL21316270 0.67 F11 (0.37) KMT2AMEN1ALDH1A1TLR7PDE5A
SCHEMBL22105713 0.65 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HPGDKDM4E

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 KMT2A 4474/4885MEN1 3286/4885ALDH1A1 869/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 KMT2A 4085/4885MEN1 4208/4885ALDH1A1 1568/4885

“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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