SCHEMBL17748965

SCHEMBL17748965

CC1(CNC(=O)c2c[nH]c(=O)c3[nH]ccc23)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 10/20 0.41
▸ JAK2 O60674 6/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ P2RX7 Q99572 9/20 0.39
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL17753918 0.85 TAF1 (0.48) JAK1JAK2IDO1P2RX7
SCHEMBL19639663 0.83 KDM4E (0.46) JAK1JAK2TYK2JAK3
SCHEMBL19639671 0.72 BRD4 (0.51) JAK1JAK2TYK2JAK3
SCHEMBL17749037 0.72 LIMK2 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL17729981 0.72 SMN1; SMN2 (0.60) —
SCHEMBL17749043 0.71 CECR2 (0.53) P2RX7
SCHEMBL17749003 0.69 BRD9 (0.61) P2RX7
SCHEMBL17749004 0.69 TAF1 (0.55) JAK1JAK2TYK2
SCHEMBL17753688 0.68 KDM4E (0.55) JAK1JAK2TYK2
SCHEMBL13549258 0.67 USP2 (0.41) JAK1JAK2

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
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 — — EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 JAK1 169/4885JAK2 55/4885IDO1 3600/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 JAK1 169/4885JAK2 55/4885IDO1 3600/4885

“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.

Send feedback