SCHEMBL4466636

SCHEMBL4466636

C=Cc1sc2ncnc(N)c2c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
KDR P35968 10/20 0.45
CLK1 P49759 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ADK P55263 1/20 0.42
KIT P10721 8/20 0.39
TEK Q02763 8/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4467289 0.83 KDR (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4465809 0.81 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4473203 0.81 KDR (0.69) KDRKITTEKAURKAPLK4
SCHEMBL4483884 0.79 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4474156 0.79 AURKA (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4466046 0.75 KDR (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4478338 0.74 KDR (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4482403 0.71 KDR (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4473831 0.71 KDR (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4479244 0.71 KDR (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 5 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

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

For each of this compound's patents that has machine-readable text (3 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 PIK3CD 214/4885PIK3CA 87/4885PIK3CB 110/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 PIK3CD 211/4885PIK3CA 92/4885PIK3CB 116/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK PIK3CD 214/4885PIK3CA 87/4885PIK3CB 110/4885

“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.