SCHEMBL21066964

SCHEMBL21066964

CC(C)(Nc1nc(C[SH](=O)=O)ncc1C(N)=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 8/20 0.44
▸ MAPK9 P45984 4/20 0.44
▸ JAK3 P52333 7/20 0.39
▸ JAK2 O60674 6/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ JAK1 P23458 4/20 0.38
▸ SYK P43405 3/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ NNMT P40261 2/20 0.35

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
SCHEMBL21066961 0.85 MAPK8 (0.49) MAPK8MAPK9JAK3JAK2ADORA3
SCHEMBL21066975 0.84 MAPK8 (0.44) MAPK8MAPK9JAK3JAK2ADORA3
SCHEMBL27934608 0.82 LATS1 (0.34) —
SCHEMBL14670934 0.80 MAPK8 (0.49) MAPK8MAPK9JAK3JAK2ADORA3
SCHEMBL13734399 0.77 MAPK8 (0.46) MAPK8MAPK9JAK3JAK2ADORA3
SCHEMBL13734152 0.76 MAPK8 (0.46) MAPK8MAPK9JAK3JAK2ADORA3
SCHEMBL30873342 0.75 MAPK8 (0.45) MAPK8MAPK9JAK3JAK2ADORA3
SCHEMBL13734200 0.75 MAPK8 (0.45) MAPK8MAPK9JAK3JAK2ADORA3
SCHEMBL27949559 0.75 MAPK8 (0.49) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL21066965 0.75 MAPK8 (0.56) MAPK8MAPK9JAK3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2021-02-16 — — US disclosed
US-20190194144-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2019-06-27 — — US disclosed
CN-103492370-A Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC 2014-01-01 — — CN 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-20190194144-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 MAPK8 45/4885MAPK9 87/4885JAK3 842/4885
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 MAPK8 45/4885MAPK9 87/4885JAK3 842/4885

“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.

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