SCHEMBL4098864

SCHEMBL4098864

C[C@H](Nc1cc(-c2cc3ncnn3c(N3C[C@@H]4C[C@H]3CN4)n2)ccn1)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
PIM1 P11309 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
PIK3CB P42338 2/20 0.35
PIK3CA P42336 1/20 0.35
IDH1 O75874 4/20 0.33
KRAS P01116 2/20 0.33
SOS1 Q07889 2/20 0.33
CAMK2D Q13557 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL13708546 1.00 IRAK4 (0.36) IRAK4PIM1CCNT1CDK9PIK3CB
SCHEMBL4098870 1.00 IRAK4 (0.36) IRAK4PIM1CCNT1CDK9PIK3CB
SCHEMBL4100534 0.90 MAPK14 (0.39) IRAK4CAMK2DMAPK10
SCHEMBL4100543 0.90 MAPK14 (0.39) IRAK4CAMK2DMAPK10
SCHEMBL13708540 0.90 MAPK14 (0.39) IRAK4CAMK2DMAPK10
SCHEMBL4094706 0.88 IRAK4 (0.41) IRAK4PIM1CCNT1CDK9PIK3CB
SCHEMBL13708548 0.87 KRAS (0.35) PIK3CBPIK3CAIDH1KRASSOS1
SCHEMBL4090798 0.87 KRAS (0.35) PIK3CBPIK3CAIDH1KRASSOS1
SCHEMBL4090793 0.87 KRAS (0.35) PIK3CBPIK3CAIDH1KRASSOS1
SCHEMBL4088479 0.86 IRAK4 (0.37) IRAK4PIM1CCNT1CDK9PIK3CB

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 IRAK4 250/4885PIM1 259/4885CCNT1 841/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 IRAK4 336/4885PIM1 406/4885CCNT1 1093/4885

“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.