SCHEMBL22105376

SCHEMBL22105376

Cc1nc(Cl)ccc1-c1nc2c(c(=O)[nH]c(=O)n2C(C)C)n1Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ BRDT Q58F21 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TYMS P04818 1/20 0.41
▸ TPH1 P17752 2/20 0.40
▸ TPH2 Q8IWU9 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MCL1 Q07820 1/20 0.40

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
SCHEMBL22105713 0.90 ALDH1A1 (0.50) SMN1; SMN2KDM4EPOLBALDH1A1MEN1
SCHEMBL22105568 0.86 TPH1 (0.53) TP53BRDTSMN1; SMN2KDM4EPOLB
SCHEMBL20652972 0.85 TP53 (0.50) TP53BRDTSMN1; SMN2KDM4EPOLB
SCHEMBL20653046 0.83 KDM4E (0.49) TP53BRDTSMN1; SMN2KDM4EPOLB
SCHEMBL22105408 0.78 BRD4 (0.52) TP53BRDTSMN1; SMN2KDM4EPOLB
SCHEMBL20652781 0.78 ALDH1A1 (0.54) SMN1; SMN2KDM4EPOLBALDH1A1MEN1
SCHEMBL22105552 0.77 TPH1 (0.54) TP53BRDTSMN1; SMN2KDM4EPOLB
SCHEMBL20652980 0.77 KDM4E (0.53) SMN1; SMN2KDM4EPOLBALDH1A1MEN1
SCHEMBL22105458 0.77 KDM4E (0.57) SMN1; SMN2KDM4EPOLBALDH1A1MEN1
SCHEMBL22105569 0.77 KDM4E (0.48) BRDTSMN1; SMN2KDM4EPOLBALDH1A1

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 TP53 4039/4885BRDT 4446/4885SMN1; SMN2 1577/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 TP53 4696/4885BRDT 3769/4885SMN1; SMN2 3424/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 TP53 4385/4885BRDT 4576/4885SMN1; SMN2 1473/4885

“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.

Send feedback