SCHEMBL4089361

SCHEMBL4089361

CC(C)N1CC2CC1CN2c1nn(-c2ccnc(N[C@@H](C)c3ccc(F)cc3)c2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.42
HTR7 P34969 1/20 0.38
MAPK14 Q16539 10/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
PRCP P42785 1/20 0.36

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
SCHEMBL4094651 0.93 PLK1 (0.42) PLK1HTR7
SCHEMBL4084908 0.93 PLK1 (0.42) PLK1HTR7
SCHEMBL4094807 0.93 PLK1 (0.42) PLK1HTR7
SCHEMBL4091257 0.91 PLK1 (0.46) PLK1HTR7MAPK14
SCHEMBL4094679 0.85 PLK1 (0.48) PLK1
SCHEMBL4089167 0.82 MEN1 (0.34) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4096056 0.82 PLK1 (0.41) PLK1HTR7
SCHEMBL4092528 0.82 PLK1 (0.47) PLK1HTR7MAPK14MAPK13MAPK12
SCHEMBL4095132 0.82 PLK1 (0.41) PLK1HTR7
SCHEMBL4094799 0.82 NOS2 (0.38) PLK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 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 (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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PLK1 1061/4885HTR7 699/4885MAPK14 1220/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PLK1 1156/4885HTR7 642/4885MAPK14 964/4885

“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.