SCHEMBL823934

SCHEMBL823934

C=CCCC(=O)Nc1cccc(Nc2nccc(-c3ccc(OC)c(CN(C)CC=C)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.47
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
PRKCA P17252 2/20 0.47
SRC P12931 1/20 0.47
PRKCD Q05655 1/20 0.47
JAK2 O60674 9/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
BCR P11274 5/20 0.47
FLT3 P36888 1/20 0.47
EGFR P00533 1/20 0.46
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41

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
SCHEMBL3045102 0.85 JAK2 (0.49) ABL1PDGFRBPDGFRAPRKCASRC
SCHEMBL3045105 0.84 CDK5 (0.58) ABL1PDGFRBPDGFRAPRKCASRC
SCHEMBL824010 0.72 KMO (0.41) JAK2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL823928 0.72 ABL1 (0.58) ABL1PDGFRBPDGFRAPRKCASRC
SCHEMBL824003 0.72 ABL1 (0.42) ABL1JAK2BCRFLT3EGFR
SCHEMBL14530985 0.71 ALDH1A1 (0.39) JAK2FLT3EGFR
SCHEMBL823960 0.71 AIMP2 (0.47) ABL1PRKCASRCPRKCDJAK2
SCHEMBL824059 0.71 MAPT (0.45) ABL1SRCJAK2HDAC1HDAC6
SCHEMBL4903233 0.70 JAK2 (0.65) ABL1PDGFRBPDGFRAPRKCASRC
SCHEMBL12801096 0.70 JAK2 (0.61) ABL1PDGFRBPDGFRAPRKCAJAK2

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 252/4885PDGFRB 312/4885PDGFRA 260/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD ABL1 252/4885PDGFRB 312/4885PDGFRA 260/4885

“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.