SCHEMBL4090582

SCHEMBL4090582

CSc1nc(NCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(-c2ccnc(Cl)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.38
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
HRH4 Q9H3N8 12/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ACP1 P24666 1/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL4090825 0.84 CDC7 (0.34) PTGDRHRH4CDC7ROCK2PIM1
SCHEMBL4084091 0.77 CDK2 (0.43) PTGDRMAPTLMNATP53THRB
SCHEMBL4103073 0.76 MAP3K12 (0.37) HRH4
SCHEMBL4091379 0.72 PTGDR (0.38) PTGDRMAPTLMNATP53THRB
SCHEMBL4084793 0.68 IDO1 (0.44) LMNA
SCHEMBL30298249 0.68 LOX (0.40) GSK3B
SCHEMBL4084553 0.66 IDO1 (0.42) LMNATHRB
SCHEMBL3682390 0.65 MAPT (0.41) MAPT
SCHEMBL3599859 0.65 LOX (0.41)
SCHEMBL31662220 0.65 PPARG (0.32) TP53THRB

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 disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 WO 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 PTGDR 2529/4885MAPT 1851/4885LMNA 3413/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PTGDR 2258/4885MAPT 1986/4885LMNA 3551/4885

“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.