SCHEMBL16631398

SCHEMBL16631398

CCn1cc(Cn2cc(C)c(=O)[nH]c2=O)nn1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.50
EP300 Q09472 2/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TK1 P04183 1/20 0.41

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
SCHEMBL18081921 0.83 HPGD (0.69) MAPK1HPGDTK1
SCHEMBL18081900 0.83 MAPK1 (0.54) MAPK1HPGDCA12CA9
SCHEMBL18080405 0.83 EP300 (0.39) MAPK1HPGDEP300CA12CA9
SCHEMBL16631677 0.81 MAPK1 (0.44) MAPK1HPGDEP300TK1
SCHEMBL16631449 0.80 MAPK1 (0.50) MAPK1HPGDCA12CA9
SCHEMBL16631491 0.77 HPGD (0.60) MAPK1HPGDCA12CA9TK1
SCHEMBL16631396 0.75 MAPK1 (0.55) MAPK1HPGDTK1
SCHEMBL2183944 0.75 MAPK1 (0.61) MAPK1HPGDTK1
Ammonia Solution, Strong SCHEMBL4194711 0.73 MAPK1 (0.59) MAPK1HPGDTK1
SCHEMBL16631675 0.72 MAPK1 (0.48) MAPK1HPGDTK1

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 MAPK1 4185/4885HPGD 3931/4885EP300 4033/4885

“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.