SCHEMBL19783022

SCHEMBL19783022

CC(C)(O)CCOc1ncc(Br)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.33
EDNRA P25101 7/20 0.33
GAA P10253 1/20 0.33
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
ALDH1A1 P00352 1/20 0.32
VDR P11473 2/20 0.31
PIM1 P11309 1/20 0.30
ACACB O00763 1/20 0.30
FFAR1 O14842 1/20 0.30
SLC6A2 P23975 1/20 0.30
TSPO P30536 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL19783174 0.81 KDM4E (0.33) ALDH1A1VDRPIM1ACACB
SCHEMBL21379541 0.81 RXRA (0.35) EDNRBEDNRAGAARXRAGRIN1
Hydrochloric Acid SCHEMBL30189819 0.80 KDM4E (0.33) ALDH1A1VDRPIM1
SCHEMBL3586888 0.78
SCHEMBL22031991 0.77 KDM4E (0.41) ALDH1A1VDRPIM1
SCHEMBL20268742 0.76 GAA (0.37) EDNRBEDNRAGAARXRAGRIN1
SCHEMBL16637672 0.75 MAPT (0.33) VDRPIM1
SCHEMBL15287259 0.74 HRH3 (0.33) ALDH1A1VDRPIM1
SCHEMBL19582886 0.74 EDNRA (0.39) EDNRBEDNRAACACBSLC6A2TSPO
SCHEMBL17003487 0.74 EDNRA (0.37) EDNRBEDNRAALDH1A1SLC6A2TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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 (2 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 EDNRB 945/4885EDNRA 920/4885GAA 3912/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 EDNRB 611/4885EDNRA 502/4885GAA 4373/4885

“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.