SCHEMBL2745753

SCHEMBL2745753

CNc1nc(N)ncc1C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 7/20 0.58
GRM4 Q14833 1/20 0.40
PTPN1 P18031 1/20 0.37
BCL6 P41182 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
DHFR P00374 1/20 0.36

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
SCHEMBL14230821 0.83 NUDT1 (0.58) NUDT1GRM4BCL6NOS3NOS1
SCHEMBL16011451 0.80 NUDT1 (0.42) NUDT1BCL6
SCHEMBL12586215 0.77 NUDT1 (0.35) NUDT1NOS3NOS1NOS2
SCHEMBL20150284 0.77 JAK1 (0.46) NUDT1GRM4PTPN1BCL6DHFR
SCHEMBL14994344 0.77 BCL6 (0.56) NUDT1GRM4PTPN1BCL6
SCHEMBL2744648 0.77 BCL6 (0.56) NUDT1PTPN1BCL6
SCHEMBL20150368 0.77 NUDT1 (0.40) NUDT1BCL6
SCHEMBL12568005 0.76 AURKA (0.44) NUDT1
SCHEMBL2745948 0.75 DHFR (0.43) NUDT1DHFR
SCHEMBL6457831 0.74 XDH (0.42) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016145383-A1 MTH1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-15 WO disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-9040543-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20140363443-A1 TRICYCLIC CARBAMATE JAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8846908-B2 Tricyclic carbamate JAK inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140234333-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8729087-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2014-05-20 US disclosed
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8299087-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
US-7834024-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20090318687-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-7560466-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-12-11 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2008-10-23 US disclosed
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-08-14 US disclosed
US-20070225495-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7122542-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2006-10-17 US disclosed
US-20050209224-A1 Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds MIDCAP FINANCIAL TRUST 2005-09-22 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 (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-20140234333-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 NUDT1 1609/4885GRM4 4381/4885PTPN1 140/4885
US-20070225495-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT NUDT1 38/4885GRM4 1093/4885PTPN1 3907/4885
US-20140363443-A1 TRICYCLIC CARBAMATE JAK INHIBITORS JAK3, JAK2, JAK1 NUDT1 1239/4885GRM4 2951/4885PTPN1 480/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B NUDT1 379/4885GRM4 4528/4885PTPN1 3370/4885
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases JAK1, JAK3, JAK2 NUDT1 4062/4885GRM4 3461/4885PTPN1 60/4885
US-20090318687-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds SSB, TYMS, TPMT NUDT1 38/4885GRM4 1093/4885PTPN1 3907/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 NUDT1 4420/4885GRM4 3418/4885PTPN1 124/4885
US-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NUDT1 2025/4885GRM4 4300/4885PTPN1 176/4885
US-20050209224-A1 Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds SSB, TYMS, TPMT NUDT1 38/4885GRM4 1093/4885PTPN1 3907/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 NUDT1 3822/4885GRM4 4117/4885PTPN1 60/4885

“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.