SCHEMBL1809436

SCHEMBL1809436

CC(NC(=O)NO)c1cc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
CYP1A2 P05177 2/20 0.51
PTGES O14684 1/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
ALOX5AP P20292 1/20 0.51
LOX P28300 1/20 0.51
EPHX2 P34913 1/20 0.51
PTGS2 P35354 1/20 0.51
LTB4R Q15722 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL9502722 0.84 ALOX5 (0.59) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1444768 0.81 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8875123 0.81 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8876780 0.81 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8933733 0.80 ALOX5 (0.56) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8895495 0.79 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL10701339 0.76 ALOX5 (0.45) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL13619726 0.76 ALOX5 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
Hydroxyurea SCHEMBL6391315 0.75 ALOX5 (0.57) ALOX5CYP1A2PTGESLMNALTA4H
Hydroxyurea SCHEMBL9602586 0.75 ALOX5 (0.57) ALOX5CYP1A2PTGESLMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 EP disclosed
EP-2558474-B1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-11-25 EP disclosed
EP-2501705-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2014-08-27 EP disclosed
US-8642593-B2 2,4-pyrimidinediamine compounds and prodrugs and their uses RIGEL PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-8618095-B2 2, 4-pyrimidinediamine compounds and prodrugs thereof and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-12-31 US disclosed
US-20130150329-A1 2,4-Pyrimidinediamine Compounds and Prodrugs and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
US-8389515-B2 2,4-pyrimidinediamine compounds and prodrugs and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
EP-2558474-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
WO-2011130390-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-20 WO disclosed
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110124599-A1 2,4-Pyrimidinediamine Compounds and Prodrugs and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 US disclosed
US-20100041678-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS, INC. 2010-02-18 US disclosed
US-20090306028-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20070117775-A1 Compositions and Methods For Treating Inflammatory Disorders RIGEL PHARMACEUTICALS, INC. (US) 2007-05-24 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 (7 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-20100041678-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS SYK, IRAK2, IRAK4 ALOX5 287/4885CYP1A2 3709/4885PTGES 267/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK ALOX5 1574/4885CYP1A2 4335/4885PTGES 1487/4885
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES TYMP, DPYD, TYMS ALOX5 1684/4885CYP1A2 366/4885PTGES 1941/4885
US-20110124599-A1 2,4-Pyrimidinediamine Compounds and Prodrugs and Their Uses DPYD, TYMP, PNP ALOX5 1883/4885CYP1A2 358/4885PTGES 2272/4885
US-20130150329-A1 2,4-Pyrimidinediamine Compounds and Prodrugs and Their Uses DPYD, TYMP, PNP ALOX5 1883/4885CYP1A2 358/4885PTGES 2272/4885
US-20090306028-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS SYK, IRAK2, IRAK4 ALOX5 254/4885CYP1A2 3922/4885PTGES 196/4885
US-20070117775-A1 Compositions and Methods For Treating Inflammatory Disorders SYK, IRAK2, IRAK4 ALOX5 254/4885CYP1A2 3922/4885PTGES 196/4885

“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.