SCHEMBL1806012

SCHEMBL1806012

O=C(NO)NCCc1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
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
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ALOX5 P09917 1/20 0.48
ADRB2 P07550 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
RAB9A P51151 1/20 0.44
GLS O94925 2/20 0.43
AGXT P21549 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7433359 0.85 CYP2A6 (0.53) CYP2A6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1444688 0.84 CYP2A6 (0.51) CYP2A6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1444757 0.81 CYP2A6 (0.59) CYP2A6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17209265 0.80 EPHX1 (0.49) CYP2A6HDAC3HDAC1HDAC2ADRB2
SCHEMBL17209264 0.80 MAPT (0.50) MEN1USP2POLBBLMKMT2A
SCHEMBL793123 0.78 HDAC3 (0.47) CYP2A6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17209262 0.78 TRPV1 (0.47) MEN1KMT2A
SCHEMBL17209263 0.77 CASR (0.54) HDAC1RAB9AMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL4499713 0.77 CYP2A6 (0.50) CYP2A6HDAC3HDAC4HDAC1HDAC7
SCHEMBL14756368 0.74 CYP2A6 (0.69) CYP2A6ADRB2ASIC3LOXL2RAB9A

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 23 patents — showing the first 20. 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
EP-2501705-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2012-09-26 EP disclosed
US-20110124599-A1 2,4-Pyrimidinediamine Compounds and Prodrugs and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
WO-2011063241-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
WO-2010147898-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS, INC. (US) 2010-12-23 WO 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
EP-1951261-A4 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS INC (US) 2009-06-24 EP disclosed
EP-1951261-A2 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS Rigel Pharmaceuticals, Inc. (US) 2008-08-06 EP disclosed
US-20070117775-A1 Compositions and Methods For Treating Inflammatory Disorders RIGEL PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
WO-2007053844-A2 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2007-05-10 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 (6 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 CYP2A6 4145/4885HDAC3 1374/4885HDAC4 1364/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK CYP2A6 4178/4885HDAC3 3004/4885HDAC4 2483/4885
US-20110124599-A1 2,4-Pyrimidinediamine Compounds and Prodrugs and Their Uses DPYD, TYMP, PNP CYP2A6 434/4885HDAC3 2855/4885HDAC4 2469/4885
US-20130150329-A1 2,4-Pyrimidinediamine Compounds and Prodrugs and Their Uses DPYD, TYMP, PNP CYP2A6 434/4885HDAC3 2855/4885HDAC4 2469/4885
US-20090306028-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS SYK, IRAK2, IRAK4 CYP2A6 4226/4885HDAC3 1177/4885HDAC4 1264/4885
US-20070117775-A1 Compositions and Methods For Treating Inflammatory Disorders SYK, IRAK2, IRAK4 CYP2A6 4226/4885HDAC3 1177/4885HDAC4 1264/4885

“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.