SCHEMBL3487069

SCHEMBL3487069

COC(=O)C1(c2ccc(C(=O)Nc3cn4cc(Cl)ccc4n3)cc2)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 11/20 0.60
HDAC1 Q13547 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RET P07949 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
ITK Q08881 1/20 0.39
MERTK Q12866 1/20 0.39
PRKAA1 Q13131 1/20 0.39
ROCK1 Q13464 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3485467 0.99 MAP3K5 (0.61) MAP3K5HDAC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3486225 0.97 MAP3K5 (0.61) MAP3K5HDAC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3485626 0.95 MAP3K5 (0.63) MAP3K5SMN1; SMN2RETCDK2GSK3B
SCHEMBL3486012 0.89 MAP3K5 (0.60) MAP3K5HDAC1RETCDK2GSK3B
SCHEMBL3485370 0.88 MAP3K5 (0.61) MAP3K5HDAC1RETCDK2GSK3B
SCHEMBL3486167 0.86 MAP3K5 (0.61) MAP3K5HDAC1RETCDK2GSK3B
SCHEMBL3486355 0.83 MAP3K5 (0.64) MAP3K5HDAC1SMN1; SMN2RETCDK2
SCHEMBL5639097 0.77 HDAC4 (0.61) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL4939286 0.75 HDAC4 (0.63) HDAC1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3486097 0.75 MAP3K5 (1.00) MAP3K5SMN1; SMN2RETCDK2GSK3B

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
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
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 42/4885HDAC1 46/4885MAPT 3292/4885

“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.