SCHEMBL3486044

SCHEMBL3486044

N#Cc1ccc(C(=O)Nc2cn3cc(Cl)ccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 12/20 0.69
ALPL P05186 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGLN2 Q96KS0 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NLRP3 Q96P20 1/20 0.45
DEGS1 O15121 1/20 0.44
RET P07949 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
ITK Q08881 1/20 0.43
MERTK Q12866 1/20 0.43

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
SCHEMBL3486491 0.84 MAP3K5 (0.77) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486097 0.81 MAP3K5 (1.00) MAP3K5SMN1; SMN2RETCDK2GSK3B
SCHEMBL3486375 0.81 MAP3K5 (0.72) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486350 0.81 MAP3K5 (0.84) MAP3K5RETCDK2GSK3BITK
SCHEMBL3485929 0.80 MAP3K5 (0.67) MAP3K5MEN1KMT2ACDK2
SCHEMBL13498876 0.80 CSNK1D (0.48) MAP3K5ALPLL3MBTL1LMNAMAPT
SCHEMBL3486259 0.80 MAP3K5 (0.70) MAP3K5RETCDK2GSK3BITK
SCHEMBL13498774 0.79 MAP3K5 (0.69) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486220 0.79 MAP3K5 (0.80) MAP3K5RETCDK2GSK3BITK
SCHEMBL3485453 0.78 MAP3K5 (0.68) MAP3K5L3MBTL1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 MAP3K5 42/4885ALPL 4723/4885L3MBTL1 2497/4885

“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.