SCHEMBL3486280

SCHEMBL3486280

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(-c4ccccc4)ccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 12/20 0.67
CSNK1D P48730 4/20 0.55
CSNK1E P49674 4/20 0.55
LMNA P02545 1/20 0.54
RET P07949 1/20 0.48
CDK2 P24941 1/20 0.48
GSK3B P49841 1/20 0.48
ITK Q08881 1/20 0.48
MERTK Q12866 1/20 0.48
PRKAA1 Q13131 1/20 0.48
ROCK1 Q13464 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL3485613 0.91 MAP3K5 (0.70) MAP3K5CSNK1DCSNK1E
SCHEMBL13498806 0.89 MAP3K5 (0.57) MAP3K5CSNK1DCSNK1E
SCHEMBL13498813 0.88 MAP3K5 (0.56) MAP3K5CSNK1DCSNK1EMAPT
SCHEMBL13498810 0.88 MAP3K5 (0.56) MAP3K5CSNK1DCSNK1E
SCHEMBL13498815 0.88 MAP3K5 (0.56) MAP3K5CSNK1DCSNK1ERETCDK2
SCHEMBL13498805 0.88 MAP3K5 (0.56) MAP3K5CSNK1DCSNK1E
SCHEMBL13498812 0.87 MAP3K5 (0.55) MAP3K5CSNK1DCSNK1E
SCHEMBL13498814 0.87 MAP3K5 (0.55) MAP3K5CSNK1DCSNK1E
SCHEMBL13498808 0.87 MAP3K5 (0.55) MAP3K5POLB
SCHEMBL13498870 0.86 MAP3K5 (0.56) MAP3K5CSNK1DCSNK1ELMNARET

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 4 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

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 42/4885CSNK1D 666/4885CSNK1E 772/4885

“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.