SCHEMBL17749037

SCHEMBL17749037

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c[nH]c(=O)c2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIMK2 P53671 1/20 0.49
▸ GPR119 Q8TDV5 8/20 0.46
▸ JAK1 P23458 4/20 0.43
▸ JAK2 O60674 3/20 0.43
▸ TYK2 P29597 3/20 0.43
▸ JAK3 P52333 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ BRD4 O60885 3/20 0.42

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
SCHEMBL28382203 0.86 FASN (0.40) LIMK2BRD4
SCHEMBL19639671 0.86 BRD4 (0.51) GPR119JAK1JAK2TYK2JAK3
SCHEMBL17749019 0.85 BRD4 (0.54) LIMK2GPR119JAK1JAK2TYK2
SCHEMBL17753568 0.83 BRD4 (0.40) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL19639663 0.81 KDM4E (0.46) GPR119JAK1JAK2TYK2JAK3
SCHEMBL17754080 0.78 JAK2 (0.45) JAK1JAK2TYK2JAK3
SCHEMBL22554120 0.72 LIMK2 (0.63) LIMK2GPR119KDM4EPKM
SCHEMBL17748965 0.72 JAK1 (0.41) JAK1JAK2TYK2JAK3
SCHEMBL16616925 0.71 GPR119 (0.65) LIMK2GPR119KDM4EPKM
SCHEMBL16625205 0.70 LIMK2 (0.51) LIMK2GPR119

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 LIMK2 2461/4885GPR119 988/4885JAK1 169/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 LIMK2 2461/4885GPR119 988/4885JAK1 169/4885

“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.

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