SCHEMBL4468548

SCHEMBL4468548

Nc1ccc(-c2c(Br)sc3ncnc(N)c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.68
LIMK1 P53667 5/20 0.50
AURKA O14965 4/20 0.50
PLK4 O00444 3/20 0.50
DYRK3 O43781 3/20 0.50
MAP4K4 O95819 3/20 0.50
AXL P30530 3/20 0.50
FLT4 P35916 3/20 0.50
CSNK1D P48730 3/20 0.50
CLK2 P49760 3/20 0.50
IRAK1 P51617 3/20 0.50
NEK2 P51955 3/20 0.50
CSNK1G2 P78368 3/20 0.50
MAP4K2 Q12851 3/20 0.50
CAMK2B Q13554 3/20 0.50
CAMK2G Q13555 3/20 0.50
CAMK2D Q13557 3/20 0.50
HIPK4 Q8NE63 3/20 0.50
AURKB Q96GD4 3/20 0.50
CLK4 Q9HAZ1 3/20 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
SCHEMBL4465809 0.82 PIK3CD (0.49) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4479287 0.81 KDR (1.00) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4467289 0.78 KDR (0.63) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4485278 0.78 KDR (0.68) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4481786 0.78 KDR (0.68) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4482336 0.77 KDR (0.81) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4466605 0.76 KDR (0.77) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4483044 0.76 KDR (0.78) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4468384 0.76 KDR (0.64) KDRLIMK1AURKAPLK4DYRK3
SCHEMBL4466053 0.74 KDR (0.61) KDRLIMK1AURKAKITTEK

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 6 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-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 425/4885LIMK1 667/4885AURKA 279/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885LIMK1 789/4885AURKA 272/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885LIMK1 667/4885AURKA 279/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 462/4885LIMK1 660/4885AURKA 272/4885

“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.