SCHEMBL2062272

SCHEMBL2062272

O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1-n1cccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.45
▸ MAPT P10636 8/20 0.45
▸ MEN1 O00255 7/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ LMNA P02545 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IDH2 P48735 1/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KCNN4 O15554 1/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ CA1 P00915 1/20 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
SCHEMBL2061964 0.80 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30908318 0.76 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2061490 0.73 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1578830 0.73 TDP1 (0.50) ALDH1A1MEN1KMT2ARAB9APTPN1
SCHEMBL4523311 0.72 TSHR (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5242261 0.71 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30426426 0.71 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL25027362 0.70 VCAM1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL996297 0.70 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9913527 0.70 VCAM1 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 — — EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 — — EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 — — EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 — — US disclosed
CN-101535276-B 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC 2013-08-28 — — CN disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 — — US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 — — US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 — — EP disclosed
CN-101535276-A 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC (US) 2009-09-16 — — CN disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 — — US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 — — 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ALDH1A1 77/4885MAPT 3881/4885MEN1 484/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885MAPT 3881/4885MEN1 484/4885

“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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