SCHEMBL29761508

SCHEMBL29761508

NC(=O)c1cnc(NC2CCC(O)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.55
MAPK9 P45984 4/20 0.55
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KIT P10721 2/20 0.51
FLT3 P36888 2/20 0.51
MAPK10 P53779 1/20 0.45
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
HCAR3 P49019 1/20 0.44
SYK P43405 1/20 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
SCHEMBL14667236 0.93 HDAC1 (0.57) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL30693042 0.85 HCAR3 (0.57) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL13736219 0.83 HDAC3 (0.71) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL30423180 0.83 HDAC1 (0.52) MAPK8HDAC3HDAC1HDAC2HDAC6
SCHEMBL13735110 0.82 MAPK8 (0.62) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL13735184 0.82 MAPK8 (0.60) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL13735187 0.82 MAPK8 (0.60) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL13733855 0.82 MAPK8 (0.62) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL13733794 0.80 MAPK8 (0.58) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL11099362 0.80 MAPK8 (0.49) MAPK8MAPK9HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 US disclosed
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 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-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 MAPK8 45/4885MAPK9 87/4885HDAC3 196/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 MAPK8 45/4885MAPK9 87/4885HDAC3 196/4885

“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.