SCHEMBL3041256

SCHEMBL3041256

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.59
ABL1 P00519 13/20 0.57
BCR P11274 11/20 0.57
SRC P12931 9/20 0.57
PLK1 P53350 2/20 0.57
EGFR P00533 1/20 0.57
PRKACA P17612 1/20 0.57
PRKACG P22612 1/20 0.57
PRKACB P22694 1/20 0.57
ABL2 P42684 1/20 0.56
PDGFRB P09619 6/20 0.54
PDGFRA P16234 6/20 0.54
PRKCA P17252 4/20 0.54
PRKCD Q05655 4/20 0.54
CDK5 Q00535 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
CDK5R1 Q15078 1/20 0.52

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
SCHEMBL823928 0.93 ABL1 (0.58) ABL1BCRSRCPLK1ABL2
SCHEMBL3041252 0.89 MAPK8 (0.57) ABL1BCRSRCPLK1ABL2
SCHEMBL823915 0.80 CAMK2D (0.82) CAMK2DABL1BCRSRCPLK1
SCHEMBL25337094 0.78 ABL1 (0.75) CAMK2DABL1BCRSRCPLK1
SCHEMBL31118910 0.78 ABL1 (0.75) CAMK2DABL1BCRSRCPLK1
SCHEMBL2945644 0.77 PLK1 (0.79) CAMK2DABL1BCRSRCPLK1
SCHEMBL12801111 0.77 PLK1 (0.64) CAMK2DABL1BCRSRCPLK1
SCHEMBL27444270 0.77 PLK1 (0.78) CAMK2DABL1BCRSRCPLK1
SCHEMBL12801304 0.77 ABL1 (0.58) CAMK2DABL1BCRSRCPLK1
SCHEMBL3012944 0.76 ABL1 (0.70) CAMK2DABL1BCRSRCPLK1

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
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
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
EP-1951730-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*Bio Pte Ltd (SG) 2008-08-06 EP 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 CAMK2D 1819/4885ABL1 252/4885BCR 798/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD CAMK2D 1819/4885ABL1 252/4885BCR 798/4885

“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.