SCHEMBL21066971

SCHEMBL21066971

NC(=O)c1cnc(C[SH](=O)=O)nc1N[C@H]1CCC[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 10/20 0.53
▸ SYK P43405 10/20 0.43
▸ MAPK9 P45984 5/20 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
SCHEMBL20540810 0.82 MAPK8 (0.65) MAPK8SYKMAPK9
SCHEMBL20541011 0.78 MAPK8 (0.66) MAPK8SYKMAPK9
SCHEMBL14657346 0.77 MAPK8 (0.57) MAPK8SYKMAPK9
SCHEMBL14657605 0.76 MAPK8 (0.56) MAPK8SYKMAPK9
SCHEMBL27949559 0.74 MAPK8 (0.49) MAPK8SYKMAPK9
SCHEMBL21066965 0.74 MAPK8 (0.56) MAPK8SYKMAPK9
SCHEMBL21066964 0.74 MAPK8 (0.44) MAPK8SYKMAPK9
SCHEMBL14658387 0.73 MAPK8 (0.70) MAPK8SYKMAPK9
SCHEMBL21066969 0.73 MAPK8 (0.49) MAPK8SYKMAPK9
SCHEMBL21066961 0.72 MAPK8 (0.49) MAPK8SYKMAPK9

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 45/4885SYK 2460/4885MAPK9 87/4885
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 MAPK8 45/4885SYK 2460/4885MAPK9 87/4885

“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.

Send feedback