SCHEMBL5428899

SCHEMBL5428899

Cc1ccc2c(c1)CCC[C@H]2Nc1nc(N)nc(C(C)(C)F)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 7/20 0.39
HDAC6 Q9UBN7 1/20 0.35
CD38 P28907 2/20 0.34
LMNA P02545 3/20 0.34
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
PDE2A O00408 1/20 0.33
DHFR P00374 1/20 0.32
MAPT P10636 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL5434980 1.00 PFKFB3 (0.39) PFKFB3HDAC6CD38LMNAUSP2
SCHEMBL1551293 1.00 PFKFB3 (0.39) PFKFB3HDAC6CD38LMNAUSP2
SCHEMBL1551824 0.86 LMNA (0.45) PFKFB3HDAC6CD38LMNADHFR
SCHEMBL3212547 0.86 LMNA (0.45) PFKFB3HDAC6CD38LMNADHFR
SCHEMBL1551901 0.86 LMNA (0.45) PFKFB3HDAC6CD38LMNADHFR
SCHEMBL11960084 0.85 IDO1 (0.34) PFKFB3LMNAMAPT
SCHEMBL11960138 0.85 IDO1 (0.34) PFKFB3LMNAMAPT
SCHEMBL1551887 0.83 LMNA (0.32) LMNAMAPT
SCHEMBL1551748 0.83 LMNA (0.32) LMNAMAPT
SCHEMBL3205862 0.83 LMNA (0.32) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-09-20 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-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 PFKFB3 872/4885HDAC6 3446/4885CD38 3534/4885

“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.