SCHEMBL4898881

SCHEMBL4898881

CC(C)c1n[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.50
MAPK1 P28482 5/20 0.50
MAPK6 Q16659 5/20 0.50
MAPKAPK3 Q16644 4/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ACE2 Q9BYF1 2/20 0.44
KMT2A Q03164 1/20 0.43
ITK Q08881 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KIF11 P52732 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL4901026 0.84 MEN1 (0.51) MAP2K4MAPK1KDM4EALDH1A1HPGD
SCHEMBL4783157 0.82 JAK2 (0.47) MAPK1KDM4EALDH1A1JAK2JAK1
SCHEMBL29690554 0.81 MAP2K4 (0.45) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL31504557 0.79 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL1145076 0.79 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL17514161 0.78 MAP2K4 (0.47) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL117222 0.77 JAK2 (0.64) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL2671070 0.77 MAP2K4 (0.55) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL7136525 0.77 MAPK1 (0.45) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL8356174 0.76 PRKAG1 (0.52) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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 (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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR MAP2K4 1105/4885MAPK1 115/4885MAPK6 136/4885

“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.