SCHEMBL823930

SCHEMBL823930

Cc1ccc2cc1NC(=O)C/C=C/CN(C)Cc1cccc(c1)Nc1nccc-2n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.80
FLT3 P36888 20/20 0.80
CCNA2 P20248 15/20 0.80
CCNA1 P78396 15/20 0.80
JAK2 O60674 17/20 0.62
JAK1 P23458 5/20 0.60
TYK2 P29597 5/20 0.60
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
SCHEMBL13355597 0.91 CDK2 (0.69) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL823929 0.89 CDK2 (1.00) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL830274 0.83 FLT3 (0.61) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL824048 0.79 CDK2 (0.75) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL14531225 0.78 CDK2 (0.73) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL824028 0.78 CDK2 (0.74) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL824014 0.76 CDK2 (0.83) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL824054 0.76 FLT3 (1.00) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL824044 0.76 FLT3 (1.00) CDK2FLT3CCNA2CCNA1JAK2
Zotiraciclib SCHEMBL17595943 0.75 FLT3 (1.00) CDK2FLT3CCNA2CCNA1JAK2

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 CDK2 13/4885FLT3 424/4885CCNA2 82/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD CDK2 13/4885FLT3 424/4885CCNA2 82/4885

“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.