SCHEMBL22105477

SCHEMBL22105477

CCn1c(=O)[nH]c(=O)c2c1nc(Cl)n2Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ TPH2 Q8IWU9 13/20 0.64
▸ TPH1 P17752 12/20 0.64
▸ KDM4E B2RXH2 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ BRD4 O60885 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ ADORA3 P0DMS8 2/20 0.55
▸ BRAF P15056 1/20 0.55

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
SCHEMBL555082 0.87 BRAF (0.72) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL21389577 0.81 MEN1 (1.00) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL20652759 0.81 MEN1 (0.57) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL16027883 0.81 KDM4E (0.52) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL22105458 0.81 KDM4E (0.57) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL555828 0.80 ADORA1 (0.63) MAPTADORA3
SCHEMBL22109856 0.80 MEN1 (0.56) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL22105772 0.80 KDM4E (0.61) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL22109760 0.79 KDM4E (0.57) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL19874720 0.79 TPH2 (1.00) MEN1KMT2ATPH2TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 — — EP disclosed
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-09 — — US disclosed
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
WO-2020120450-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — WO 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 (3 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 4474/4885TPH2 501/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 MEN1 4208/4885KMT2A 4085/4885TPH2 906/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 MEN1 3627/4885KMT2A 4516/4885TPH2 664/4885

“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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