SCHEMBL16095959

SCHEMBL16095959

O=C(O)c1ccc2cc3n(c2c1)CCN(CCO)C3=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ RPS6KA3 P51812 7/20 0.41
▸ DRD3 P35462 4/20 0.39
▸ RPS6KA2 Q15349 9/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ PARP1 P09874 1/20 0.37

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
SCHEMBL3083411 0.73 RPS6KA3 (0.52) CYP2D6RPS6KA3RPS6KA2
SCHEMBL3088114 0.71 RPS6KA3 (0.67) RPS6KA3RPS6KA2
SCHEMBL1982385 0.70 RPS6KA2 (0.45) RPS6KA3RPS6KA2
SCHEMBL1980016 0.69 RPS6KA3 (0.79) RPS6KA3RPS6KA2
SCHEMBL25118592 0.69 CHRNB2 (0.35) CYP2D6PARP1
SCHEMBL1980033 0.67 RPS6KA3 (0.63) RPS6KA3RPS6KA2
SCHEMBL1979617 0.67 RPS6KA3 (0.48) RPS6KA3RPS6KA2
SCHEMBL3080179 0.66 RPS6KA2 (0.54) RPS6KA3RPS6KA2PARP1
SCHEMBL1979447 0.66 RPS6KA2 (0.41) RPS6KA3RPS6KA2
SCHEMBL3574670 0.66 SRD5A2 (0.50) RPS6KA3RPS6KA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 — — CN disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 — — US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 — — EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — 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 (3 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 HRH3 3521/4885CYP2D6 2278/4885RPS6KA3 75/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 HRH3 3521/4885CYP2D6 2278/4885RPS6KA3 75/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 HRH3 3521/4885CYP2D6 2278/4885RPS6KA3 75/4885

“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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