SCHEMBL656665

SCHEMBL656665

Nc1ccc2c(c1)NC(=O)C(F)(F)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CA9 Q16790 2/20 0.38
SYK P43405 2/20 0.34
JAK2 O60674 1/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
FGFR4 P22455 1/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL30343148 0.79 KDM4E (0.58) JAK1JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL13376291 0.79 TGM2 (0.36) JAK1JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL14292808 0.79 LMNA (0.43) JAK1JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL445148 0.79 KDM4E (0.58) JAK1JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL8265565 0.79 MMP12 (0.50) JAK1JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL8800363 0.79 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1CA9MAPT
SCHEMBL13007732 0.78 MAPT (0.40) SMN1; SMN2KDM4EALDH1A1CA9MAPT
SCHEMBL15651034 0.77 ALDH1A1 (0.39) JAK1JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL30804512 0.76 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1CA9SYK
SCHEMBL12871595 0.76 PARP1 (0.54) JAK1JAK3SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748597-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2014-06-10 US claimed
US-20130317216-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES MIDCAP FINANCIAL TRUST 2013-11-28 US claimed
EP-2203391-A1 PURIFICATION OF OIL SANDS POND WATER Nalco Company (US) 2010-07-07 EP claimed
WO-2009052018-A1 PURIFICATION OF OIL SANDS POND WATER NALCO COMPANY (US) 2009-04-23 WO claimed
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-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 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
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
WO-2006129100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-12-07 WO disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP 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 (12 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-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT JAK1 495/4885JAK3 675/4885SMN1; SMN2 4738/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A JAK1 512/4885JAK3 546/4885SMN1; SMN2 4764/4885
US-20130317216-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A JAK1 512/4885JAK3 546/4885SMN1; SMN2 4764/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A JAK1 512/4885JAK3 546/4885SMN1; SMN2 4764/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A JAK1 512/4885JAK3 546/4885SMN1; SMN2 4764/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A JAK1 512/4885JAK3 546/4885SMN1; SMN2 4764/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A JAK1 608/4885JAK3 618/4885SMN1; SMN2 4853/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A JAK1 290/4885JAK3 312/4885SMN1; SMN2 4749/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A JAK1 512/4885JAK3 546/4885SMN1; SMN2 4764/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A JAK1 512/4885JAK3 546/4885SMN1; SMN2 4764/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A JAK1 512/4885JAK3 546/4885SMN1; SMN2 4764/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK JAK1 70/4885JAK3 144/4885SMN1; SMN2 986/4885

“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.