SCHEMBL14667236

SCHEMBL14667236

NC(=O)c1cnc(NC2CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HCAR3 P49019 3/20 0.49
MAPK8 P45983 8/20 0.47
MAPK9 P45984 5/20 0.47
SYK P43405 3/20 0.46
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43

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
SCHEMBL29761508 0.93 MAPK8 (0.55) HDAC1HDAC3HDAC2HDAC6HCAR3
SCHEMBL30423180 0.89 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6MAPK8
SCHEMBL13736219 0.89 HDAC3 (0.71) HDAC1HDAC3HDAC2HDAC6MAPK8
SCHEMBL13735184 0.88 MAPK8 (0.60) HDAC1HDAC3HDAC2HDAC6MAPK8
SCHEMBL13735187 0.88 MAPK8 (0.60) HDAC1HDAC3HDAC2HDAC6MAPK8
SCHEMBL13737141 0.84 HDAC3 (0.44) HDAC1HDAC3HDAC2HDAC6MAPK8
SCHEMBL13737142 0.84 HDAC3 (0.44) HDAC1HDAC3HDAC2HDAC6MAPK8
SCHEMBL185452 0.83 HCAR3 (0.64) HDAC1HDAC3HDAC2HDAC6HCAR3
SCHEMBL13733794 0.82 MAPK8 (0.58) HDAC1HDAC3HDAC2HDAC6MAPK8
SCHEMBL16047037 0.81 HCAR3 (0.62) HDAC1HDAC3HDAC2HDAC6HCAR3

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-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 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-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 HDAC1 165/4885HDAC3 196/4885HDAC2 114/4885

“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.