SCHEMBL13775962

SCHEMBL13775962

CN1c2ccccc2NCc2cccn21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.47
HSD17B3 P37058 1/20 0.38
BRD4 O60885 1/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 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
SCHEMBL9789046 0.81 CA12 (0.31) BRPF1
SCHEMBL30963678 0.75 BRPF1 (0.44) BRPF1HSD17B3BRD4PTPN1MEN1
SCHEMBL2731241 0.75 BRPF1 (0.44) BRPF1HSD17B3BRD4PTPN1MEN1
SCHEMBL14433005 0.65 ALOX15 (0.34) BRPF1GAAALOX15HSD17B10
SCHEMBL4476006 0.65 BRPF1 (1.00) BRPF1HSD17B3BRD4GAAKMT2A
SCHEMBL30537994 0.65 BRPF1 (1.00) BRPF1HSD17B3BRD4GAAKMT2A
SCHEMBL4158789 0.65 BRPF1 (0.62) BRPF1HSD17B3BRD4MEN1GAA
SCHEMBL9375733 0.64 BRPF1 (0.45) BRPF1HSD17B3BRD4PTPN1MEN1
SCHEMBL4013751 0.62 BRPF1 (0.50) BRPF1HSD17B3BRD4MEN1GAA
SCHEMBL30738818 0.62 BRPF1 (0.50) BRPF1HSD17B3BRD4MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560454-B2 Condensed azepines as vasopressin agonists VANTIA LIMITED (GB) 2009-07-14 US disclosed
US-7560454-B2 Condensed azepines as vasopressin agonists VANTIA LIMITED (GB) 2009-07-14 US disclosed
US-20080261951-A1 Condensed azepines as vasopressin agonists ASHWORTH DOREEN MARY 2008-10-23 US disclosed
US-20080261951-A1 Condensed azepines as vasopressin agonists ASHWORTH DOREEN MARY 2008-10-23 US disclosed
EP-1248784-B1 CONDENSED AZEPINES AS VASOPRESSIN AGONISTS FERRING BV (NL) 2007-07-11 EP disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 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 (1 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-20080261951-A1 Condensed azepines as vasopressin agonists AVPR2, AVPR1A, AVPR1B BRPF1 708/4885HSD17B3 751/4885BRD4 1223/4885

“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.