SCHEMBL824117

SCHEMBL824117

CCN(CC)CCOc1ccc2cc1CN(C)C/C=C/COCc1cncc(c1)-c1ccnc(n1)N2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 20/20 0.68
JAK2 O60674 19/20 0.68
CDK2 P24941 18/20 0.68
TYK2 P29597 16/20 0.68
JAK1 P23458 11/20 0.68
CCNA2 P20248 11/20 0.68
CCNA1 P78396 11/20 0.68
JAK3 P52333 6/20 0.68
CYP3A4 P08684 3/20 0.68
GAK O14976 1/20 0.53
STK16 O75716 1/20 0.53
STK10 O94804 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCB P05771 1/20 0.53
LCK P06239 1/20 0.53
CSF1R P07333 1/20 0.53
PDGFRB P09619 1/20 0.53
CYP2D6 P10635 1/20 0.53
NQO2 P16083 1/20 0.53
FER P16591 1/20 0.53

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
SCHEMBL824123 0.90 FLT3 (0.72) FLT3JAK2CDK2TYK2JAK1
SCHEMBL824107 0.89 FLT3 (0.65) FLT3JAK2CDK2TYK2JAK1
SCHEMBL824033 0.88 JAK2 (0.68) FLT3JAK2CDK2TYK2JAK1
SCHEMBL14531001 0.86 JAK2 (0.67) FLT3JAK2CDK2TYK2JAK1
SCHEMBL824082 0.86 JAK2 (0.69) FLT3JAK2CDK2TYK2JAK1
SCHEMBL1108222 0.81 JAK2 (1.00) FLT3JAK2CDK2TYK2JAK1
SCHEMBL1108265 0.79 JAK2 (1.00) FLT3JAK2CDK2TYK2JAK1
SCHEMBL823864 0.79 JAK2 (0.71) FLT3JAK2CDK2TYK2JAK1
SCHEMBL824098 0.79 FLT3 (1.00) FLT3JAK2CDK2TYK2JAK1
SCHEMBL1108235 0.78 JAK2 (0.79) FLT3JAK2CDK2TYK2JAK1

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 10 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
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 FLT3 424/4885JAK2 692/4885CDK2 13/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD FLT3 424/4885JAK2 692/4885CDK2 13/4885

“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.