SCHEMBL4493115

SCHEMBL4493115

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OCCCN3CCCCC3)c(F)c2)nc1Oc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.46
NTRK1 P04629 1/20 0.43
LCK P06239 4/20 0.43
KDR P35968 4/20 0.43
SRC P12931 2/20 0.43
MAPK14 Q16539 2/20 0.43
BTK Q06187 6/20 0.41
JAK3 P52333 3/20 0.41
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
MET P08581 2/20 0.38
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38

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
SCHEMBL4507570 0.95 SIK1 (0.44) TNK2NTRK1LCKKDRSRC
SCHEMBL4488361 0.95 TNK2 (0.48) TNK2NTRK1LCKKDRSRC
SCHEMBL4507483 0.94 TNK2 (0.43) TNK2NTRK1LCKKDRSRC
SCHEMBL4488342 0.94 NTRK1 (0.45) TNK2NTRK1LCKKDRSRC
SCHEMBL4490116 0.93 TNK2 (0.47) TNK2LCKKDRSRCMAPK14
SCHEMBL4507894 0.92 NTRK1 (0.43) TNK2NTRK1LCKSRCBTK
SCHEMBL4493793 0.91 SIK1 (0.45) TNK2NTRK1LCKKDRSRC
SCHEMBL4505341 0.91 TNK2 (0.48) TNK2LCKKDRSRCMAPK14
SCHEMBL4481283 0.90 BTK (0.42) TNK2NTRK1LCKKDRSRC
SCHEMBL4501651 0.88 TNK2 (0.51) TNK2LCKKDRSRCMAPK14

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 TNK2 1854/4885NTRK1 2408/4885LCK 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.