SCHEMBL21332013

SCHEMBL21332013

COc1cnc(C(=O)O)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TSHR P16473 1/20 0.42
MAP4K4 O95819 1/20 0.40
PRKAG1 P54619 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
COPS5 Q92905 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL362125 0.80 ALDH1A1 (0.44) MAPTTSHRALDH1A1KDM4EKMT2A
SCHEMBL1241243 0.80 MAPT (0.43) MAPTTSHRALDH1A1KDM4EKMT2A
SCHEMBL28159348 0.80 SMN1; SMN2 (0.45) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL312811 0.80 TSHR (0.43) MAPTTSHRPRKAG1PRKAA1PRKAB1
SCHEMBL30968741 0.80 SMN1; SMN2 (0.45) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL29543556 0.80 MAPT (0.43) MAPTTSHRMAP4K4PRKAG1PRKAA1
SCHEMBL26910317 0.80 MAPT (0.43) MAPTTSHRMAP4K4PRKAG1PRKAA1
SCHEMBL8516137 0.79 MAPT (0.42) MAPTTSHRPRKAG1PRKAA1PRKAB1
SCHEMBL10328688 0.79 PRKAG1 (0.42) MAPTTSHRPRKAG1PRKAA1PRKAB1
SCHEMBL9229440 0.76 MAPT (0.40) MAPTTSHRPRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-21 US disclosed
US-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-21 US disclosed
EP-3762379-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS Bayer Aktiengesellschaft (DE) 2021-01-13 EP disclosed
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 WO disclosed
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 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 (1 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-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR MAPK15, MAPKAPK5, MAP3K5 MAPT 2919/4885TSHR 1713/4885MAP4K4 51/4885

“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.