SCHEMBL20780596

SCHEMBL20780596

OB(O)c1cccn2c(-c3cccc(F)c3F)ncc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.37
CNR2 P34972 1/20 0.36
HSD11B1 P28845 1/20 0.36
GRIN2B Q13224 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
GRIN1 Q05586 1/20 0.32
PTPN11 Q06124 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL20780687 0.83 HSD11B1 (0.39) IDO1CNR2HSD11B1GRIN2BCCNE2
SCHEMBL20767021 0.80 CCNE2 (0.39) IDO1CNR2HSD11B1GRIN2BCCNE2
SCHEMBL20767037 0.80 ALDH1A1 (0.40) IDO1CNR2HSD11B1GRIN2BCCNE2
SCHEMBL21675542 0.76 IDO1 (0.50) IDO1CNR2GRIN2BCCNE2CCNE1
SCHEMBL20767389 0.75 HSD11B1 (0.36) IDO1CNR2HSD11B1GRIN2BCCNE2
SCHEMBL20767292 0.73 CCNE2 (0.43) IDO1CNR2HSD11B1GRIN2BCCNE2
SCHEMBL20767290 0.73 IDO1 (0.54) IDO1GRIN2BGRIN1
SCHEMBL20767014 0.72 MEN1 (0.56) CNR2HSD11B1CCNE2CCNE1CDK2
SCHEMBL21352416 0.67 IDO1 (0.40) IDO1CNR2HSD11B1
SCHEMBL21352370 0.67 PDK2 (0.40) IDO1CNR2HSD11B1GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229638-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2022-01-25 US disclosed
US-11229638-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2022-01-25 US disclosed
US-11186579-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-11-30 US disclosed
US-11040033-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-06-22 US disclosed
EP-3817818-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-05-12 EP disclosed
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-10-08 US disclosed
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-10-08 US disclosed
US-20200031834-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 US disclosed
US-20190192504-A1 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. 2019-06-27 US disclosed
WO-2019040102-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2019-02-28 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 (6 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-11229638-B2 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 IDO1 3290/4885CNR2 384/4885HSD11B1 1421/4885
US-20190192504-A1 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 IDO1 3290/4885CNR2 384/4885HSD11B1 1421/4885
US-11040033-B2 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 IDO1 3290/4885CNR2 384/4885HSD11B1 1421/4885
US-11186579-B2 Therapeutic heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MAPT, SLC10A1 IDO1 3142/4885CNR2 1264/4885HSD11B1 720/4885
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS SDHA, CYP11B2, ABCB1 IDO1 3290/4885CNR2 384/4885HSD11B1 1421/4885
US-20200031834-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MAPT, SLC10A1 IDO1 3142/4885CNR2 1264/4885HSD11B1 720/4885

“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.