SCHEMBL16822057

SCHEMBL16822057

CC1(C)[C@@H](O)C[C@H]1Nc1nc(S(C)(=O)=O)ncc1C#N

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 13/20 0.50
▸ PRKCD Q05655 11/20 0.50
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ MAT2A P31153 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30

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
SCHEMBL16822033 1.00 PRKCQ (0.50) PRKCQPRKCDCYP2C9CYP2C19HRH1
SCHEMBL16821966 0.88 PRKCQ (0.40) PRKCQPRKCDCYP2C9CYP2C19HRH1
SCHEMBL16822012 0.88 PRKCQ (0.40) PRKCQPRKCDCYP2C9CYP2C19HRH1
SCHEMBL16822038 0.88 PRKCQ (0.40) PRKCQPRKCDCYP2C9CYP2C19HRH1
SCHEMBL16822173 0.88 PRKCQ (0.40) PRKCQPRKCDCYP2C9CYP2C19HRH1
SCHEMBL16822108 0.86 PRKCQ (0.40) PRKCQPRKCD
SCHEMBL16822067 0.85 PRKCQ (0.44) PRKCQPRKCD
SCHEMBL16822035 0.80 PRKCQ (0.51) PRKCQPRKCDCYP2C9CYP2C19HRH1
SCHEMBL16822014 0.80 PRKCQ (0.51) PRKCQPRKCDCYP2C9CYP2C19HRH1
SCHEMBL16821995 0.80 PRKCQ (0.44) PRKCQPRKCDMAT2ALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3736268-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2020-11-11 — — EP disclosed
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 — — EP disclosed
US-9783505-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-10 — — US disclosed
US-9556126-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-01-31 — — US disclosed
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-12-08 — — US disclosed
US-9156798-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-10-13 — — US disclosed
US-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-09-03 — — US disclosed
US-20150175557-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-06-25 — — 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 (3 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-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE PRKCQ 1/4885PRKCD 9/4885CYP2C9 4634/4885
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE PRKCQ 1/4885PRKCD 9/4885CYP2C9 4634/4885
US-20150175557-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE PRKCQ 1/4885PRKCD 9/4885CYP2C9 4634/4885

“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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