SCHEMBL21395879

SCHEMBL21395879

COCc1cnc2c(B(O)O)cc(Cl)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
CYP11B2 P19099 2/20 0.30
CYP11B1 P15538 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
SCHEMBL30189663 1.00 ENPP2 (0.33) ENPP2CYP11B2CYP11B1
SCHEMBL30189704 0.84 CCR1 (0.33) CYP11B2CYP11B1
SCHEMBL19783287 0.84 CCR1 (0.33) CYP11B2CYP11B1
SCHEMBL30189933 0.79 S1PR4 (0.33) CYP11B2CYP11B1
SCHEMBL19783603 0.79 S1PR4 (0.33) CYP11B2CYP11B1
SCHEMBL19783099 0.74
SCHEMBL29277947 0.74 HTR1A (0.39)
SCHEMBL29939888 0.74 HTR1A (0.39)
SCHEMBL30189775 0.73 KDM4E (0.34) CYP11B2CYP11B1
SCHEMBL19783559 0.73 KDM4E (0.34) CYP11B2CYP11B1

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 3 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

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 ENPP2 415/4885CYP11B2 367/4885CYP11B1 376/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ENPP2 523/4885CYP11B2 245/4885CYP11B1 239/4885

“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.