SCHEMBL16822019

SCHEMBL16822019

CC1(CCN)C(=O)Nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.55
PDK4 Q16654 1/20 0.55
BACE1 P56817 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Hydrochloric Acid SCHEMBL16822147 0.98 PDK2 (0.53) PDK2PDK4BACE1KMT2AMEN1
SCHEMBL24740182 0.80 PDK2 (0.60) PDK2PDK4BACE1KMT2AMEN1
SCHEMBL5500770 0.80 PDK2 (0.60) PDK2PDK4BACE1KMT2AMEN1
SCHEMBL7834463 0.76 PGR (0.59) PDK2PDK4LMNAATMALDH1A1
SCHEMBL19410666 0.76 PDK2 (0.55) PDK2PDK4BACE1KMT2AMEN1
SCHEMBL22921216 0.75 PDK2 (0.46) PDK2PDK4KMT2AMEN1LMNA
SCHEMBL12747116 0.75 PDK2 (0.53) PDK2PDK4KMT2AMEN1LMNA
SCHEMBL28513117 0.75 PDK2 (0.53) PDK2PDK4BACE1KMT2AMEN1
SCHEMBL19411759 0.73 PDK2 (0.51) PDK2PDK4KMT2AMEN1LMNA
SCHEMBL19411606 0.73 PDK2 (0.51) PDK2PDK4BACE1KMT2AMEN1

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 10 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
EP-3082819-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2016-10-26 EP 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
WO-2015095679-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2015-06-25 WO 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 PDK2 316/4885PDK4 531/4885BACE1 431/4885
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE PDK2 316/4885PDK4 531/4885BACE1 431/4885
US-20150175557-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE PDK2 316/4885PDK4 531/4885BACE1 431/4885

“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.