SCHEMBL21066965

SCHEMBL21066965

NC(=O)c1cnc(C[SH](=O)=O)nc1NC12CC(C1)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.56
▸ MAPK9 P45984 3/20 0.56
▸ JAK3 P52333 8/20 0.41
▸ JAK2 O60674 7/20 0.41
▸ JAK1 P23458 6/20 0.41
▸ SYK P43405 2/20 0.34
▸ NNMT P40261 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.32

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
SCHEMBL21066969 0.91 MAPK8 (0.49) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL16932224 0.79 MAPK8 (0.60) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL13735566 0.76 MAPK8 (0.57) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL21066961 0.75 MAPK8 (0.49) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL27949559 0.75 MAPK8 (0.49) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL13734783 0.75 MAPK8 (0.56) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL30801500 0.75 MAPK8 (0.56) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL21066964 0.75 MAPK8 (0.44) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL13735202 0.74 MAPK8 (0.55) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL21066971 0.74 MAPK8 (0.53) MAPK8MAPK9SYK

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-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

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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