SCHEMBL19783287

SCHEMBL19783287

COCc1cnc2c(B(O)O)cc(C)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
GRM5 P41594 1/20 0.31
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL30189704 1.00 CCR1 (0.33) CCR1CCR5CCR8GRM5CYP11B2
SCHEMBL30189663 0.84 ENPP2 (0.33) CYP11B2CYP11B1
SCHEMBL21395879 0.84 ENPP2 (0.33) CYP11B2CYP11B1
SCHEMBL19782862 0.79 CCR1 (0.34) CCR1CCR5CCR8GRM5CYP11B2
SCHEMBL30189953 0.79 CCR1 (0.34) CCR1CCR5CCR8GRM5CYP11B2
SCHEMBL19782543 0.74 PDE10A (0.33) GRM5CYP11B2CYP11B1KDM4ELMNA
SCHEMBL30189706 0.74 PDE10A (0.33) GRM5CYP11B2CYP11B1KDM4ELMNA
SCHEMBL19783554 0.73 LMNA (0.34) GRM5CYP11B2CYP11B1KDM4ELMNA
SCHEMBL30189775 0.71 KDM4E (0.34) GRM5CYP11B2CYP11B1KDM4ELMNA
SCHEMBL19783559 0.71 KDM4E (0.34) GRM5CYP11B2CYP11B1KDM4ELMNA

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 CCR1 2972/4885CCR5 2766/4885CCR8 2189/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CCR1 2186/4885CCR5 2573/4885CCR8 1454/4885

“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.