SCHEMBL823928

SCHEMBL823928

C=CCC(=O)Nc1cccc(Nc2nccc(-c3cccc(NC(=O)CC=C)c3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.58
SRC P12931 8/20 0.58
PDGFRB P09619 7/20 0.58
PDGFRA P16234 7/20 0.58
PRKCA P17252 5/20 0.58
PRKCD Q05655 4/20 0.58
BCR P11274 11/20 0.57
PLK1 P53350 1/20 0.57
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
PRKCB P05771 1/20 0.55
PRKCH P24723 1/20 0.55
PRKCI P41743 1/20 0.55
PRKCE Q02156 1/20 0.55
PRKCQ Q04759 1/20 0.55
PRKCZ Q05513 1/20 0.55
PRKD1 Q15139 1/20 0.55
JAK2 O60674 4/20 0.54
JAK1 P23458 3/20 0.54
JAK3 P52333 3/20 0.54

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
SCHEMBL3041256 0.93 CAMK2D (0.59) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL3041252 0.92 MAPK8 (0.57) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL4901346 0.79 ABL1 (0.74) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL4895446 0.77 ABL1 (0.63) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14348340 0.77 MAPT (0.60) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL15552645 0.76 POLB (0.51)
SCHEMBL4733852 0.75 PLK1 (0.84) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL1464227 0.75 JAK3 (0.73) JAK2JAK3
SCHEMBL4736493 0.75 PLK1 (0.83) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL4786448 0.75 PLK1 (0.71) ABL1SRCPDGFRBPDGFRAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 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 (2 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-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD ABL1 252/4885SRC 511/4885PDGFRB 312/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD ABL1 252/4885SRC 511/4885PDGFRB 312/4885

“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.