SCHEMBL2198979

SCHEMBL2198979

C[C@H](Nc1ncc(Cl)c(-c2cnc3c(Cl)cccn23)n1)c1ccc([C@H](O)CNC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.38
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
BLM P54132 1/20 0.35
JUN P05412 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
LMNA P02545 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TSHR P16473 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL2198230 0.93 ADRB2 (0.35) IGF1RADRB2ADRB1CYP2D6NFKB1
SCHEMBL2195698 0.93 IGF1R (0.36) IGF1RADRB2ADRB1CYP2D6NFKB1
SCHEMBL2200557 0.90 IGF1R (0.35) IGF1RADRB2ADRB1CYP2D6NFKB1
SCHEMBL2198357 0.90 IGF1R (0.35) IGF1RADRB2ADRB1CYP2D6NFKB1
SCHEMBL4258682 0.90 IGF1R (0.35) IGF1RADRB2ADRB1CYP2D6NFKB1
SCHEMBL2197154 0.90 IGF1R (0.35) IGF1RADRB2ADRB1CYP2D6NFKB1
SCHEMBL2197982 0.90 CDK2 (0.37) IGF1RJUNCDK2MAPK8MAPK9
SCHEMBL2199014 0.87 FLT3 (0.47) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL2195588 0.85 IGF1R (0.33) IGF1RADRB1NTRK1GPR139
SCHEMBL2196962 0.82 IGF1R (0.37) IGF1RADRB2ADRB1CYP2D6HIF1A

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 IGF1R 812/4885ADRB2 3707/4885ADRB1 3156/4885

“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.