SCHEMBL4094608

SCHEMBL4094608

CC(Nc1cc(-n2nc(N3C[C@@H]4C[C@H]3CN4)c3ccccc32)ccn1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.40
CHRNB2 P17787 7/20 0.37
CHRNA4 P43681 7/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK6 Q00534 1/20 0.37
PLK1 P53350 1/20 0.36
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
NTRK1 P04629 1/20 0.34
MAP4K1 Q92918 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
BRAF P15056 2/20 0.34

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
SCHEMBL4094605 1.00 KHK (0.40) KHKCHRNB2CHRNA4CDK4CCND1
SCHEMBL4095017 1.00 KHK (0.40) KHKCHRNB2CHRNA4CDK4CCND1
SCHEMBL4084182 0.89 PLK1 (0.43) KHKCHRNB2CHRNA4PLK1
SCHEMBL4088463 0.89 PLK1 (0.43) KHKCHRNB2CHRNA4PLK1
SCHEMBL6503474 0.89 PLK1 (0.43) KHKCHRNB2CHRNA4PLK1
SCHEMBL4084191 0.89 PLK1 (0.43) KHKCHRNB2CHRNA4PLK1
SCHEMBL4088456 0.89 PLK1 (0.43) KHKCHRNB2CHRNA4PLK1
SCHEMBL4084188 0.89 PLK1 (0.43) KHKCHRNB2CHRNA4PLK1
SCHEMBL4084323 0.85 PLK1 (0.49) KHKCHRNB2CHRNA4PLK1
SCHEMBL4101712 0.85 PLK1 (0.49) KHKCHRNB2CHRNA4PLK1

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-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 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 KHK 2675/4885CHRNB2 1720/4885CHRNA4 1639/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 KHK 2674/4885CHRNB2 1652/4885CHRNA4 1548/4885

“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.