SCHEMBL4478592

SCHEMBL4478592

Nc1ncnc2snc(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.68
NUDT14 O95848 3/20 0.55
NUDT5 Q9UKK9 3/20 0.55
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
PRKDC P78527 1/20 0.51
BTK Q06187 9/20 0.49
LCK P06239 7/20 0.49
LYN P07948 4/20 0.49
TEK Q02763 6/20 0.48
KIT P10721 3/20 0.48
FLT1 P17948 2/20 0.48
FLT4 P35916 1/20 0.48
SRC P12931 7/20 0.46
FYN P06241 3/20 0.44
MAPK1 P28482 2/20 0.44
CSK P41240 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4469181 0.81 KDR (1.00) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL200349 0.74 NUDT14 (0.62) KDRNUDT14NUDT5PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL29439185 0.73 NUDT14 (0.61) KDRNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL4479244 0.73 KDR (0.68) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14241118 0.73 NUDT14 (0.56) KDRNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL3985507 0.73 KDR (0.55) KDRBTKLCKLYNTEK
SCHEMBL18176199 0.72 NUDT14 (0.75) KDRNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL30225114 0.72 NUDT14 (0.56) KDRNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL130529 0.71 NUDT14 (1.00) KDRNUDT14NUDT5PIK3CDPIK3CA
SCHEMBL3982004 0.70 KDR (0.52) KDRPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US claimed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 US claimed
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-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 425/4885NUDT14 761/4885NUDT5 920/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885NUDT14 641/4885NUDT5 704/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885NUDT14 761/4885NUDT5 920/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 462/4885NUDT14 788/4885NUDT5 886/4885

“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.