SCHEMBL824098

SCHEMBL824098

CN1C/C=C/COCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 20/20 1.00
CDK2 P24941 12/20 1.00
TYK2 P29597 9/20 1.00
JAK2 O60674 18/20 0.83
CCNA2 P20248 5/20 0.83
CCNA1 P78396 5/20 0.83
JAK1 P23458 7/20 0.69
ROCK2 O75116 1/20 0.60
CCNK O75909 1/20 0.60
STK10 O94804 1/20 0.60
PRKD3 O94806 1/20 0.60
ABL1 P00519 1/20 0.60
EGFR P00533 1/20 0.60
PRKCB P05771 1/20 0.60
CDK1 P06493 1/20 0.60
RET P07949 1/20 0.60
CYP2D6 P10635 1/20 0.60
CCNB1 P14635 1/20 0.60
FER P16591 1/20 0.60
PRKCA P17252 1/20 0.60

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
SCHEMBL824054 0.91 FLT3 (1.00) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL824044 0.91 FLT3 (1.00) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL1108269 0.89 FLT3 (1.00) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL824049 0.82 CDK2 (0.82) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL823863 0.81 FLT3 (1.00) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL823917 0.81 FLT3 (0.75) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL824123 0.81 FLT3 (0.72) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL824014 0.80 CDK2 (0.83) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL29617551 0.80 FLT3 (0.82) FLT3CDK2TYK2JAK2CCNA2
SCHEMBL20322485 0.80 FLT3 (0.82) FLT3CDK2TYK2JAK2CCNA2

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 424/4885CDK2 13/4885TYK2 989/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD FLT3 424/4885CDK2 13/4885TYK2 989/4885

“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.