SCHEMBL22819499

SCHEMBL22819499

O=C(O)Cc1ccc(-c2n[nH]c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.66
GAA P10253 2/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
IDO1 P14902 2/20 0.62
ALPL P05186 1/20 0.62
HPGD P15428 1/20 0.62
TTK P33981 1/20 0.62
MAPK10 P53779 1/20 0.62
MAPK8 P45983 2/20 0.56
ABCC4 O15439 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
PTGS1 P23219 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK1 P28482 2/20 0.54
MAPKAPK3 Q16644 1/20 0.54

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
SCHEMBL15878687 0.84 ROCK1 (0.72) LMNAROCK2ROCK1
Propionic Acid SCHEMBL4552403 0.81 KDM4E (0.71) MAP2K4GAAKDM4EALDH1A1IDO1
SCHEMBL3732433 0.80 MAP2K4 (1.00) MAP2K4GAAKDM4EALDH1A1IDO1
SCHEMBL31369711 0.79 MAP2K4 (0.58) MAP2K4GAAKDM4EALDH1A1IDO1
SCHEMBL9951780 0.79 GRM4 (0.45) MAP2K4GAAKDM4EALDH1A1IDO1
SCHEMBL17178615 0.78 ALDH1A1 (0.92) MAP2K4GAAKDM4EALDH1A1IDO1
SCHEMBL30768403 0.78 ALDH1A1 (1.00) MAP2K4GAAKDM4EALDH1A1IDO1
SCHEMBL855531 0.78 ALDH1A1 (1.00) MAP2K4GAAKDM4EALDH1A1IDO1
SCHEMBL27688197 0.78 IDO1 (0.65) MAP2K4GAAKDM4EALDH1A1IDO1
SCHEMBL462088 0.76 LMNA (0.68) MAP2K4GAAKDM4EALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370770-B2 3-arylindazoles as selective MEK4 inhibitors NORTHWESTERN UNIVERSITY (US) 2022-06-28 US disclosed
US-20200399241-A1 3-ARYLINDAZOLES AS SELECTIVE MEK4 INHIBITORS NORTHWESTERN UNIVERSITY (US) 2020-12-24 US 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 (2 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-20200399241-A1 3-ARYLINDAZOLES AS SELECTIVE MEK4 INHIBITORS MAP4K3, MAPK4, MAP3K4 MAP2K4 39/4885GAA 3203/4885KDM4E 788/4885
US-11370770-B2 3-arylindazoles as selective MEK4 inhibitors MAP4K3, MAPK4, MAP3K4 MAP2K4 39/4885GAA 3203/4885KDM4E 788/4885

“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.