SCHEMBL16821995

SCHEMBL16821995

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 6/20 0.44
▸ PRKCD Q05655 6/20 0.44
▸ MAT2A P31153 1/20 0.38
▸ PTK2 Q05397 4/20 0.38
▸ PTK2B Q14289 4/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ULK1 O75385 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ LRRK2 Q5S007 3/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ KIT P10721 2/20 0.33

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
SCHEMBL28115998 1.00 PRKCQ (0.44) PRKCQPRKCDMAT2APTK2PTK2B
SCHEMBL16822033 0.80 PRKCQ (0.50) PRKCQPRKCDMAT2ALRRK2
SCHEMBL16822057 0.80 PRKCQ (0.50) PRKCQPRKCDMAT2ALRRK2
SCHEMBL16835308 0.79 PRKCQ (0.45) PRKCQPRKCDMAT2APTK2ULK1
SCHEMBL16835307 0.79 PRKCQ (0.45) PRKCQPRKCDMAT2APTK2ULK1
SCHEMBL16822075 0.79 PRKCQ (0.45) PRKCQPRKCDMAT2APTK2ULK1
SCHEMBL28115997 0.78 PRKCQ (0.44) PRKCQPRKCDMAT2APTK2PTK2B
SCHEMBL16822136 0.77 PRKCQ (0.44) PRKCQPRKCDMAT2APTK2PTK2B
SCHEMBL25209667 0.71 GSK3A (0.42) PTK2PTK2BKCNH2ULK1KDR
SCHEMBL30396196 0.71 GSK3A (0.42) PTK2PTK2BKCNH2ULK1KDR

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 9/4885MAT2A 725/4885
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE PRKCQ 1/4885PRKCD 9/4885MAT2A 725/4885
US-20150175557-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE PRKCQ 1/4885PRKCD 9/4885MAT2A 725/4885

“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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