SCHEMBL2199014

SCHEMBL2199014

C[C@H](Nc1nccc(-c2cnc3c(Cl)cccn23)n1)c1ccc([C@H](O)CNC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.47
EGFR P00533 1/20 0.39
MAPK9 P45984 5/20 0.39
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL2198979 0.87 IGF1R (0.38) MAPK9ADRB2ADRB1CYP2D6NFKB1
SCHEMBL2195962 0.87 FLT3 (0.44) FLT3MAPK9MAPK8
SCHEMBL2198230 0.86 ADRB2 (0.35) FLT3ADRB2ADRB1CYP2D6NFKB1
SCHEMBL2195698 0.85 IGF1R (0.36) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL4258682 0.83 IGF1R (0.35) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL2200557 0.83 IGF1R (0.35) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL2197154 0.83 IGF1R (0.35) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL2198357 0.83 IGF1R (0.35) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL2195588 0.78 IGF1R (0.33) FLT3ADRB1
SCHEMBL2197982 0.78 CDK2 (0.37) MAPK9MAPK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (1 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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 FLT3 197/4885EGFR 1076/4885MAPK9 751/4885

“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.