SCHEMBL21331981

SCHEMBL21331981

CN1CCN(c2cnc3c(C4CCNCC4)ncnc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 7/20 0.55
SLC2A1 P11166 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
KIT P10721 1/20 0.42
HTR3A P46098 1/20 0.40
TMEM97 Q5BJF2 1/20 0.38
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRM4 P08173 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTR2C P28335 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21339534 0.90 MAPK7 (0.61) MAPK7SLC2A1SIGMAR1HTR3ATMEM97
Hydrochloric Acid SCHEMBL29611133 0.82 MAPK7 (0.44) MAPK7SLC2A1SIGMAR1KITHTR3A
SCHEMBL3572685 0.81 MEN1 (0.46) MAPK7SLC2A1SIGMAR1KITMEN1
SCHEMBL3565773 0.79 MEN1 (0.46) KITMEN1GLAGAAKMT2A
SCHEMBL3558524 0.77 NTRK1 (0.43) MAPK7MEN1GLAGAAKMT2A
SCHEMBL21339642 0.77 MAPK7 (0.65) MAPK7SLC2A1SIGMAR1TMEM97KDM4E
SCHEMBL21339498 0.77 KIT (0.46) MAPK7SLC2A1SIGMAR1KITCHRM4
SCHEMBL21339530 0.74 KIT (0.40) MAPK7SLC2A1SIGMAR1KITCHRM4
SCHEMBL21339692 0.74 MAPK7 (0.51) MAPK7KITMEN1KMT2ACHRM4
Hydrochloric Acid SCHEMBL21332045 0.73 KIT (0.40) MAPK7KITCHRM4

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 4 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
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 MAPK7 22/4885SLC2A1 4071/4885SIGMAR1 3210/4885

“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.