SCHEMBL22105573

SCHEMBL22105573

CCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(Cl)nc1C(F)(F)F)n2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HTT P42858 2/20 0.55
▸ TSHR P16473 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ HPGD P15428 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ TPH2 Q8IWU9 7/20 0.48
▸ TPH1 P17752 6/20 0.48
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL22105783 0.93 BRD4 (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22105371 0.93 TPH1 (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22105458 0.87 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22105568 0.80 TPH1 (0.53) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22105408 0.80 BRD4 (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22105569 0.78 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22105772 0.78 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22105477 0.77 MEN1 (0.68) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL22109856 0.76 MEN1 (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22105773 0.76 ADORA2B (0.45) KDM4EALDH1A1KMT2ASMN1; SMN2TSHR

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 KDM4E 3987/4885ALDH1A1 869/4885MEN1 3286/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 KDM4E 3188/4885ALDH1A1 1568/4885MEN1 4208/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 KDM4E 3837/4885ALDH1A1 962/4885MEN1 3627/4885

“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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