SCHEMBL4473831

SCHEMBL4473831

Nc1ncnc2scc(-c3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.63
LCK P06239 5/20 0.63
MAP4K4 O95819 4/20 0.63
ABL1 P00519 4/20 0.63
NTRK1 P04629 4/20 0.63
CSF1R P07333 4/20 0.63
RET P07949 4/20 0.63
FGFR1 P11362 4/20 0.63
FLT1 P17948 4/20 0.63
CLK2 P49760 4/20 0.63
RPS6KA3 P51812 4/20 0.63
MAP4K2 Q12851 4/20 0.63
ROCK1 Q13464 4/20 0.63
DYRK1A Q13627 4/20 0.63
NTRK2 Q16620 4/20 0.63
TAOK1 Q7L7X3 4/20 0.63
CLK4 Q9HAZ1 4/20 0.63
GSK3B P49841 3/20 0.63
MET P08581 3/20 0.63
NTRK3 Q16288 3/20 0.63

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
SCHEMBL4482388 0.81 KDR (0.52) KDRLCKMAP4K4ABL1NTRK1
SCHEMBL4488885 0.81 ALDH1A1 (0.52) KDRLCKMAP4K4ABL1NTRK1
SCHEMBL4486113 0.81 KDR (0.77) KDRLCKMAP4K4ABL1NTRK1
SCHEMBL14013968 0.78 FGFR1 (1.00) KDRLCKMAP4K4ABL1NTRK1
SCHEMBL13788810 0.78 PIK3CD (0.43) KDRLCKMAP4K4ABL1NTRK1
SCHEMBL4479244 0.76 KDR (0.68) KDRLCKMAP4K4CSF1RRET
SCHEMBL4488134 0.74 KDR (0.66) KDRLCKMAP4K4ABL1NTRK1
SCHEMBL4477124 0.74 KDR (0.61) KDRLCKMAP4K4ABL1NTRK1
SCHEMBL31570714 0.74 MEN1 (0.56) MAP4K4NTRK1RETCLK2RPS6KA3
SCHEMBL31165898 0.74 KDR (0.61) KDRLCKMAP4K4ABL1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 US disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885LCK 3/4885MAP4K4 108/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885LCK 2/4885MAP4K4 127/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885LCK 3/4885MAP4K4 108/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 462/4885LCK 3/4885MAP4K4 103/4885
US-20050004142-A1 Chemical compounds TIE1, KDR, TEK KDR 2/4885LCK 94/4885MAP4K4 256/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDR 3/4885LCK 94/4885MAP4K4 554/4885

“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.