SCHEMBL824072

SCHEMBL824072

C=CCN(C)Cc1cccc(Nc2nccc(-c3ccnc(F)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.44
PIK3CG P48736 3/20 0.44
JAK2 O60674 3/20 0.43
JAK3 P52333 2/20 0.43
MAPT P10636 1/20 0.42
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
SRC P12931 1/20 0.42
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
CDC7 O00311 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
MTOR P42345 2/20 0.42
SMG1 Q96Q15 2/20 0.42
CDK1 P06493 1/20 0.42
EGFR P00533 2/20 0.42
BTK Q06187 1/20 0.42
CAMK2D Q13557 2/20 0.41
ITK Q08881 1/20 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
SCHEMBL824059 0.84 MAPT (0.45) PIK3CAPIK3CGJAK2JAK3MAPT
SCHEMBL823960 0.83 AIMP2 (0.47) PIK3CAPIK3CGJAK2JAK3ABL1
SCHEMBL823940 0.75 SYK (0.39) PIK3CAPIK3CGJAK2JAK3ABL1
SCHEMBL14531627 0.75 PLK1 (0.52) PIK3CGJAK2JAK3ABL1BCR
SCHEMBL3045105 0.73 CDK5 (0.58) PIK3CAPIK3CGJAK2ABL1BCR
SCHEMBL3045102 0.70 JAK2 (0.49) PIK3CAPIK3CGJAK2ABL1BCR
SCHEMBL13355584 0.70 MAPT (0.46) PIK3CAPIK3CGJAK2JAK3MAPT
SCHEMBL4733635 0.70 PLK1 (0.56) PIK3CGJAK2ABL1BCRSRC
SCHEMBL19766407 0.70 PLK1 (0.45) PIK3CAPIK3CGJAK2ABL1BCR
SCHEMBL7467043 0.69 ABL1 (0.67) PIK3CAPIK3CGJAK2JAK3MAPT

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 14 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-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-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
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
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 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 (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 PIK3CA 42/4885PIK3CG 194/4885JAK2 692/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD PIK3CA 42/4885PIK3CG 194/4885JAK2 692/4885

“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.