SCHEMBL190858

SCHEMBL190858

O=c1[nH]cc(CC(F)(F)F)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CYP19A1 P11511 1/20 0.47
TSHR P16473 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
HTT P42858 1/20 0.47
HBB P68871 1/20 0.47
PMP22 Q01453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45
DPYD Q12882 1/20 0.42
GAA P10253 1/20 0.42
ATAD2 Q6PL18 1/20 0.42

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
SCHEMBL5962348 0.80 ATAD2 (0.47) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL4625879 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL4353311 0.76 DPYD (0.50) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL5800398 0.76
SCHEMBL5798297 0.72 DPYD (0.46) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL6555485 0.72 DPYD (0.52) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL2584919 0.72 LMNA (0.52) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL44459 0.72 GAA (0.52) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL1916592 0.72 DPYD (0.46) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL4346481 0.71 DPYD (0.45) ALDH1A1LMNAMAPTCYP19A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000510446-A 2000-08-15 JP claimed
EP-0928290-A4 OLIGORIBONUCLEOTIDES AND RIBONUCLEASES FOR CLEAVING RNA ISIS PHARMACEUTICALS INC (US) 2000-01-19 EP claimed
EP-0928290-A1 OLIGORIBONUCLEOTIDES AND RIBONUCLEASES FOR CLEAVING RNA ISIS PHARMACEUTICALS, INC. (US) 1999-07-14 EP claimed
WO-1997046570-A1 OLIGORIBONUCLEOTIDES AND RIBONUCLEASES FOR CLEAVING RNA ISIS PHARMACEUTICALS, INC. (US) 1997-12-11 WO claimed
WO-2022216098-A1 NOVEL LRRK2 INHIBITOR 주식회사 스탠다임 2022-10-13 WO disclosed
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2022-03-10 US 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-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
EP-1534286-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2005-06-01 EP disclosed
WO-2005016893-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR USE IN THE TREATMENT OR PREVENTION OF AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
WO-2005012294-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR USE IN THE TREATMENT OR PREVENTION OF AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2004014382-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS (US) 2004-02-19 WO disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO 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 (9 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 ALDH1A1 2152/4885LMNA 2930/4885MAPT 4192/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT ALDH1A1 2723/4885LMNA 4498/4885MAPT 4330/4885
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR ALDH1A1 1877/4885LMNA 2981/4885MAPT 4237/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A ALDH1A1 2891/4885LMNA 4827/4885MAPT 4104/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ALDH1A1 2891/4885LMNA 4827/4885MAPT 4104/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ALDH1A1 2891/4885LMNA 4827/4885MAPT 4104/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A ALDH1A1 2302/4885LMNA 4512/4885MAPT 4391/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ALDH1A1 2891/4885LMNA 4827/4885MAPT 4104/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ALDH1A1 2891/4885LMNA 4827/4885MAPT 4104/4885

“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.