SCHEMBL2543405

SCHEMBL2543405

CC1(C)C(=O)CCCC1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
GP6 Q9HCN6 1/20 0.35
PTPN1 P18031 1/20 0.32
HSD17B1 P14061 1/20 0.31
CYP19A1 P11511 6/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL10738039 1.00 MEN1 (0.36) MEN1ALDH1A1CYP3A4KMT2AGP6
SCHEMBL660760 0.86
SCHEMBL660761 0.86
SCHEMBL183432 0.74 CA1 (0.34) MEN1ALDH1A1KMT2ACYP19A1
SCHEMBL1681776 0.74 LMNA (0.31) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL21575977 0.74 CA1 (0.34) MEN1ALDH1A1KMT2ACYP19A1
SCHEMBL9419571 0.74 CA1 (0.34) MEN1ALDH1A1KMT2ACYP19A1
SCHEMBL7149090 0.74 LMNA (0.31) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL30198804 0.73 MEN1 (0.33) MEN1ALDH1A1CYP3A4KMT2A
Acetone SCHEMBL28103893 0.72 ALDH1A1 (0.33) ALDH1A1

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 23 patents — showing the first 20. 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
EP-3136461-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL IN WHICH SAME IS USED, AND METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT Fujifilm Corporation (JP) 2017-03-01 EP disclosed
US-20170040121-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL USING THE SAME, AND METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT FUJIFILM CORPORATION (JP) 2017-02-09 US disclosed
US-20170040121-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL USING THE SAME, AND METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT FUJIFILM CORPORATION (JP) 2017-02-09 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
CN-106170290-A Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof 西格诺药品有限公司 2016-11-30 CN disclosed
EP-3082819-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2016-10-26 EP disclosed
WO-2015095679-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2015-06-25 WO disclosed
EP-2194073-B1 Positive-working photosensitive composition, method for pattern formation using the composition, resin for use in the composition, and monomer. FUJIFILM CORP (JP) 2013-06-05 EP disclosed
US-8043791-B2 Positive photosensitive composition, pattern forming method using the composition and resin for use in the composition FUJIFILM CORPORATION (JP) 2011-10-25 US disclosed
US-8043791-B2 Positive photosensitive composition, pattern forming method using the composition and resin for use in the composition FUJIFILM CORPORATION (JP) 2011-10-25 US disclosed
US-8043791-B2 Positive photosensitive composition, pattern forming method using the composition and resin for use in the composition FUJIFILM CORPORATION (JP) 2011-10-25 US disclosed
US-20100216072-A1 POSITIVE PHOTOSENSITIVE COMPOSITION, PATTERN FORMING METHOD USING THE COMPOSITION AND RESIN FOR USE IN THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-08-26 US disclosed
US-20100216072-A1 POSITIVE PHOTOSENSITIVE COMPOSITION, PATTERN FORMING METHOD USING THE COMPOSITION AND RESIN FOR USE IN THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-08-26 US disclosed
US-20100216072-A1 POSITIVE PHOTOSENSITIVE COMPOSITION, PATTERN FORMING METHOD USING THE COMPOSITION AND RESIN FOR USE IN THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-08-26 US disclosed
EP-2194073-A1 POSITIVE-WORKING PHOTOSENSITIVE COMPOSITION, METHOD FOR PATTERN FORMATION USING THE COMPOSITION, AND RESIN FOR USE IN THE COMPOSITION Fujifilm Corporation (JP) 2010-06-09 EP disclosed
EP-2194073-A1 POSITIVE-WORKING PHOTOSENSITIVE COMPOSITION, METHOD FOR PATTERN FORMATION USING THE COMPOSITION, AND RESIN FOR USE IN THE COMPOSITION Fujifilm Corporation (JP) 2010-06-09 EP 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-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE MEN1 3777/4885ALDH1A1 3945/4885CYP3A4 3956/4885
US-20100216072-A1 POSITIVE PHOTOSENSITIVE COMPOSITION, PATTERN FORMING METHOD USING THE COMPOSITION AND RESIN FOR USE IN THE COMPOSITION LCP1, SUN2, EEF1D MEN1 3629/4885ALDH1A1 4655/4885CYP3A4 3661/4885

“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.