SCHEMBL1997096

SCHEMBL1997096

CC(C)(C)c1n[nH]c(N)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.35
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 2/20 0.31
GFER P55789 1/20 0.31
RECQL P46063 1/20 0.31
JAK2 O60674 1/20 0.31
MAOA P21397 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL675972 0.75 ALDH1A1 (0.38) ALPLMAPTALDH1A1GAAGFER
SCHEMBL14198600 0.70
SCHEMBL21718634 0.70
SCHEMBL21719824 0.70
SCHEMBL8544628 0.70
SCHEMBL21719918 0.70
SCHEMBL2185595 0.70
SCHEMBL7488208 0.67 KMT2A (0.41) LMNAMAPTALDH1A1GAAGFER
SCHEMBL21719905 0.67
SCHEMBL9344428 0.67

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245675-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. 2024-07-25 US disclosed
EP-4377298-A1 PROTEIN SECRETION INHIBITORS Gate Bioscience, Inc. (US) 2024-06-05 EP disclosed
CN-117999256-A Protein secretion inhibitor 分子门生物科技公司 2024-05-07 CN disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed
US-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-04-16 US disclosed
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
EP-2513102-B1 ETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 US disclosed
US-8586581-B2 Ethynyl compounds useful for treatment of CNS disorders Hoffmann-La Roche Inc (US) 2013-11-19 US disclosed
EP-2513102-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-8178671-B2 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine RIGEL PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 US disclosed
US-7582648-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2008-12-18 US disclosed
US-7452879-B2 N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-07-19 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 (8 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-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR ALPL 4357/4885LMNA 2930/4885MAPT 4192/4885
US-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR ALPL 4357/4885LMNA 2930/4885MAPT 4192/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR ALPL 4357/4885LMNA 2930/4885MAPT 4192/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR ALPL 4357/4885LMNA 2930/4885MAPT 4192/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT ALPL 3904/4885LMNA 1834/4885MAPT 4315/4885
US-20240245675-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ALPL 4532/4885LMNA 4316/4885MAPT 2526/4885
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS GRM5, GRIK5, GRM1 ALPL 4524/4885LMNA 4220/4885MAPT 1288/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT ALPL 3904/4885LMNA 1834/4885MAPT 4315/4885

“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.