SCHEMBL22105437

SCHEMBL22105437

CCn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPH2 Q8IWU9 6/20 0.60
TPH1 P17752 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
BRDT Q58F21 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.53
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RECQL P46063 1/20 0.47
MDM2 Q00987 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
SCHEMBL22105566 0.89 BRD4 (0.59) TPH2TPH1BRDTPOLBMEN1
SCHEMBL16076188 0.87 BRDT (0.71) SMN1; SMN2BRDTPOLBMEN1KMT2A
SCHEMBL21389545 0.84 BRD4 (0.62) TPH2TPH1SMN1; SMN2BRDTPOLB
SCHEMBL19090443 0.84 MEN1 (0.58) SMN1; SMN2BRDTPOLBMEN1KMT2A
SCHEMBL22109903 0.81 TPH1 (0.51) TPH2TPH1SMN1; SMN2BRDTPOLB
SCHEMBL22105552 0.79 TPH1 (0.54) TPH2TPH1SMN1; SMN2BRDTPOLB
SCHEMBL22105568 0.79 TPH1 (0.53) TPH2TPH1SMN1; SMN2BRDTPOLB
SCHEMBL22105446 0.78 TPH1 (0.52) TPH2TPH1SMN1; SMN2BRDTPOLB
SCHEMBL25996687 0.78 TPH1 (0.52) TPH2TPH1SMN1; SMN2BRDTPOLB
SCHEMBL22105578 0.77 BRD4 (0.65) TPH2TPH1SMN1; SMN2BRDTMEN1

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 TPH2 501/4885TPH1 231/4885SMN1; SMN2 1577/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 TPH2 906/4885TPH1 543/4885SMN1; SMN2 3424/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 TPH2 664/4885TPH1 335/4885SMN1; 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.