SCHEMBL22801748

SCHEMBL22801748

COC(=O)c1ccc(-c2nn(C(=O)OC(C)(C)C)c3cc(Cl)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.52
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
KDR P35968 1/20 0.41
RORC P51449 2/20 0.40
MAPT P10636 2/20 0.39
DHODH Q02127 1/20 0.39
PKM P14618 1/20 0.38
NLRP3 Q96P20 1/20 0.38
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KRAS P01116 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
ALPL P05186 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
SCHEMBL22801648 0.87 MAP2K4 (0.52) MAP2K4ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6370930 0.84 ELANE (0.48) MAP2K4ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6378102 0.83 MAPK8 (0.46) MAP2K4ALDH1A1HPGDSMN1; SMN2KDR
SCHEMBL22801831 0.79 MAP2K4 (0.67) MAP2K4ALDH1A1HPGDSMN1; SMN2RORC
SCHEMBL15687456 0.76 BRD4 (0.41) MAP2K4ALDH1A1HPGDHDAC1HDAC6
SCHEMBL22801661 0.76 ROCK2 (0.41) MAP2K4ALDH1A1RORC
SCHEMBL6480204 0.76 PDGFRA (0.46) MAP2K4
SCHEMBL31026057 0.76 ROCK2 (0.41) MAP2K4ALDH1A1RORC
SCHEMBL22801565 0.75 MAP2K4 (0.62) MAP2K4ALDH1A1HPGDSMN1; SMN2RORC
SCHEMBL31746505 0.75 RORC (0.40) MAP2K4ALDH1A1RORCMAPTHDAC1

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 39/4885ALDH1A1 2153/4885HPGD 1137/4885
US-11370770-B2 3-arylindazoles as selective MEK4 inhibitors MAP4K3, MAPK4, MAP3K4 MAP2K4 39/4885ALDH1A1 2153/4885HPGD 1137/4885

“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.