SCHEMBL4095132

SCHEMBL4095132

CCN1CC2CC1CN2c1nn(-c2ccnc(N[C@@H](C)c3ccccc3)c2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.41
HTR7 P34969 2/20 0.38
MAPK1 P28482 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
SCHEMBL4095141 0.89 PLK1 (0.40) PLK1HTR7
SCHEMBL4090078 0.89 PLK1 (0.38) PLK1HTR7
SCHEMBL4094651 0.88 PLK1 (0.42) PLK1HTR7
SCHEMBL4094807 0.88 PLK1 (0.42) PLK1HTR7
SCHEMBL4084908 0.88 PLK1 (0.42) PLK1HTR7
SCHEMBL4094568 0.85 NOS2 (0.39) PLK1MAPK1
SCHEMBL4084188 0.84 PLK1 (0.43) PLK1HTR7
SCHEMBL4084191 0.84 PLK1 (0.43) PLK1HTR7
SCHEMBL6503474 0.84 PLK1 (0.43) PLK1HTR7
SCHEMBL4088463 0.84 PLK1 (0.43) PLK1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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 699/4885MAPK1 1258/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PLK1 1156/4885HTR7 642/4885MAPK1 1542/4885

“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.