SCHEMBL653811

SCHEMBL653811

Nc1cccc(-c2nnc(-c3ccccc3)o2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MECP2 P51608 1/20 1.00
NPC1 O15118 14/20 0.69
RAB9A P51151 14/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
SMN1; SMN2 Q16637 9/20 0.67
HPGD P15428 5/20 0.67
ALDH1A1 P00352 5/20 0.67
HSD17B10 Q99714 2/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPT P10636 2/20 0.67
GLA P06280 1/20 0.67
ALOX15 P16050 1/20 0.67
ATAD2 Q6PL18 2/20 0.64
TSHR P16473 3/20 0.62
TP53 P04637 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
POLB P06746 2/20 0.60

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
SCHEMBL3422962 0.94 MECP2 (0.89) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL29813232 0.94 MECP2 (0.89) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL11508555 0.91 MECP2 (0.83) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL1142913 0.91 MECP2 (0.83) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL14378791 0.86 NPC1 (0.81) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL653790 0.84 NPC1 (0.72) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL12306757 0.84 NPC1 (0.77) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL14395189 0.82 MECP2 (0.69) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL10493895 0.82 NPC1 (0.74) MECP2NPC1RAB9AMEN1KMT2A
SCHEMBL8650657 0.82 RAB9A (1.00) MECP2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 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-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-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-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200149112-A1 AGENTS FOR REVERSING EPIGENETIC SILENCING OF GENES THE JOHNS HOPKINS UNIVERSITY 2020-05-14 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US 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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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
CN-1625400-A 2, 4-pyrimidinediamine compounds and uses thereof RIGEL PHARMACEUTICALS INC (US) 2005-06-08 CN 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 (10 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-20200149112-A1 AGENTS FOR REVERSING EPIGENETIC SILENCING OF GENES MECP2, MBD2, GATAD2B MECP2 1/4885NPC1 4094/4885RAB9A 3374/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MECP2 1419/4885NPC1 3266/4885RAB9A 2531/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT MECP2 552/4885NPC1 4203/4885RAB9A 3057/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MECP2 1419/4885NPC1 3266/4885RAB9A 2531/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MECP2 1419/4885NPC1 3266/4885RAB9A 2531/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MECP2 1419/4885NPC1 3266/4885RAB9A 2531/4885
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 MECP2 1658/4885NPC1 2426/4885RAB9A 2167/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A MECP2 1497/4885NPC1 2094/4885RAB9A 2375/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MECP2 1419/4885NPC1 3266/4885RAB9A 2531/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MECP2 1419/4885NPC1 3266/4885RAB9A 2531/4885

“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.