SCHEMBL16095359

SCHEMBL16095359

CN(C)C/C=C/C(=O)Nc1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MMP1 P03956 7/20 0.57
▸ MMP2 P08253 7/20 0.57
▸ MMP9 P14780 7/20 0.57
▸ ITK Q08881 4/20 0.53
▸ EGFR P00533 4/20 0.53
▸ BTK Q06187 2/20 0.53
▸ JAK3 P52333 1/20 0.53
▸ ERBB2 P04626 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL16095361 1.00 MAOB (0.58) MAOBMEN1NPC1MAPTPKM
SCHEMBL16665163 0.86 ITK (0.64) MAOBMMP1MMP2MMP9ITK
SCHEMBL16095303 0.84 EGFR (0.54) ITKEGFRBTKJAK3ERBB2
SCHEMBL12518702 0.84 EGFR (0.54) ITKEGFRBTKJAK3ERBB2
SCHEMBL21344948 0.83 DHODH (0.56) MAPTSMN1; SMN2ITKEGFRBTK
SCHEMBL26696904 0.83 CREBBP (0.55) ITKEGFRBTKJAK3ERBB2
SCHEMBL30716322 0.83 CREBBP (0.55) ITKEGFRBTKJAK3ERBB2
SCHEMBL26696906 0.83 CREBBP (0.55) ITKEGFRBTKJAK3ERBB2
SCHEMBL13389249 0.83 EGFR (0.55) MAOBMEN1NPC1MAPTRAB9A
SCHEMBL20682514 0.82 ACKR3 (0.53) MAPTPKMITKEGFRBTK

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 7 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
CN-105163738-A MK2 inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-16 — — CN 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 MAOB 2649/4885MEN1 2025/4885NPC1 3265/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 MAOB 2649/4885MEN1 2025/4885NPC1 3265/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MAOB 2649/4885MEN1 2025/4885NPC1 3265/4885

“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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