SCHEMBL4371397

SCHEMBL4371397

C[C@@H](Nc1c(Nc2ccnc(Cl)c2)c(=O)c1=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 18/20 0.72
AURKB Q96GD4 4/20 0.68
PDGFRA P16234 3/20 0.68
CSNK1G1 Q9HCP0 3/20 0.68
ROCK1 Q13464 2/20 0.68
MAPK1 P28482 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C9 P11712 2/20 0.68
DCLK1 O15075 1/20 0.68
ROCK2 O75116 1/20 0.68
CHEK2 O96017 1/20 0.68
GSK3A P49840 1/20 0.68
GSK3B P49841 1/20 0.68
IRAK1 P51617 1/20 0.68
PRKX P51817 1/20 0.68
NEK4 P51957 1/20 0.68
PLK1 P53350 1/20 0.68
CSNK1G2 P78368 1/20 0.68
CDC42BPA Q5VT25 1/20 0.68
BRSK1 Q8TDC3 1/20 0.68

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
SCHEMBL16102053 1.00 MAPKAPK2 (0.72) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4366770 0.85 MAPKAPK2 (0.72) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4363960 0.84 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4378378 0.84 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4374212 0.83 MAPKAPK2 (0.80) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4366393 0.83 MAPKAPK2 (0.69) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4368799 0.82 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4371766 0.82 MAPKAPK2 (0.91) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4366478 0.82 MAPKAPK2 (0.83) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4368075 0.81 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO claimed
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
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 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 MAPKAPK2 7/4885AURKB 144/4885PDGFRA 3451/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885AURKB 144/4885PDGFRA 3451/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885AURKB 144/4885PDGFRA 3451/4885

“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.