SCHEMBL4084323

SCHEMBL4084323

C[C@H](Nc1cc(-n2nc(N3CC4CC3CN4)c3ccc(F)cc32)ccn1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.49
KHK P50053 1/20 0.43
HTR7 P34969 2/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL4101712 1.00 PLK1 (0.49) PLK1KHKHTR7CHRNB2CHRNA4
SCHEMBL4084915 0.94 PLK1 (0.47) PLK1KHKHTR7MAPK14
SCHEMBL4089032 0.92 PLK1 (0.49) PLK1KHKHTR7CHRNB2CHRNA4
SCHEMBL4084182 0.92 PLK1 (0.43) PLK1KHKHTR7CHRNB2CHRNA4
SCHEMBL4084191 0.92 PLK1 (0.43) PLK1KHKHTR7CHRNB2CHRNA4
SCHEMBL6503474 0.92 PLK1 (0.43) PLK1KHKHTR7CHRNB2CHRNA4
SCHEMBL4084188 0.92 PLK1 (0.43) PLK1KHKHTR7CHRNB2CHRNA4
SCHEMBL4088463 0.92 PLK1 (0.43) PLK1KHKHTR7CHRNB2CHRNA4
SCHEMBL4088456 0.92 PLK1 (0.43) PLK1KHKHTR7CHRNB2CHRNA4
SCHEMBL4099674 0.91 PLK1 (0.49) PLK1KHK

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 6 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-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-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-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 1061/4885KHK 2675/4885HTR7 699/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PLK1 1156/4885KHK 2674/4885HTR7 642/4885

“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.