SCHEMBL16100893

SCHEMBL16100893

C=CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.45
ALK Q9UM73 1/20 0.45
KDR P35968 2/20 0.43
HIF1A Q16665 3/20 0.42
MAPKAPK2 P49137 1/20 0.41
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
ERBB2 P04626 2/20 0.39
DGAT1 O75907 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
SCHEMBL30935135 1.00 EGFR (0.45) EGFRALKKDRHIF1AMAPKAPK2
SCHEMBL16097051 0.88 HIF1A (0.43) EGFRKDRHIF1AMAPKAPK2DGAT1
SCHEMBL30935209 0.88 HIF1A (0.43) EGFRKDRHIF1AMAPKAPK2DGAT1
SCHEMBL17368525 0.88 HIF1A (0.46) EGFRKDRHIF1ADGAT1
SCHEMBL16097189 0.84 HIF1A (0.43) EGFRKDRHIF1ADGAT1
SCHEMBL30380339 0.82 HIF1A (0.43) HIF1ADGAT1
SCHEMBL16101030 0.82 HIF1A (0.43) HIF1ADGAT1
SCHEMBL16101389 0.80 AAK1 (0.45) EGFRKDRHIF1ADGAT1
SCHEMBL15556513 0.79 CA1 (0.39) HIF1ADGAT1
SCHEMBL16101102 0.79 HIF1A (0.40) EGFRKDRHIF1AMAPKAPK2DGAT1

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
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-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
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US 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
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 EGFR 3184/4885ALK 4321/4885KDR 3111/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 EGFR 3184/4885ALK 4321/4885KDR 3111/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 EGFR 3184/4885ALK 4321/4885KDR 3111/4885

“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.