SCHEMBL4491249

SCHEMBL4491249

COc1cc(C(=O)NC2CCCC2)ccc1Oc1nc(Nc2cccc(OCCCN3CCCCC3)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.47
TTK P33981 1/20 0.46
LCK P06239 1/20 0.46
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
TNK2 Q07912 1/20 0.46
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
EPHX2 P34913 1/20 0.44
PTK2 Q05397 11/20 0.43
MET P08581 1/20 0.43
AXL P30530 1/20 0.42

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
SCHEMBL4507560 0.92 LCK (0.46) ITKLCKJAK3BTKTNK2
SCHEMBL4489728 0.92 LCK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4497267 0.91 AXL (0.51) TTKLCKJAK3BTKTNK2
SCHEMBL5686360 0.91 LCK (0.47) ITKLCKJAK3BTKTNK2
SCHEMBL4496650 0.90 LCK (0.54) ITKLCKJAK3BTKTNK2
SCHEMBL4500830 0.89 LCK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4497902 0.87 AXL (0.51) TTKLCKJAK3BTKTNK2
SCHEMBL4492554 0.87 LCK (0.48) LCKJAK3BTKTNK2MET
SCHEMBL4498752 0.86 PTK2 (0.48) TTKLCKJAK3BTKTNK2
SCHEMBL4495901 0.86 MET (0.47) LCKJAK3BTKTNK2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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 (1 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 ITK 3373/4885TTK 3470/4885LCK 33/4885

“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.