SCHEMBL3485622

SCHEMBL3485622

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(-c4cn[nH]c4)ccc3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 11/20 0.72
CLK1 P49759 2/20 0.57
CLK2 P49760 2/20 0.57
CSNK1D P48730 7/20 0.54
CSNK1E P49674 7/20 0.54

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
SCHEMBL3486280 0.85 MAP3K5 (0.67) MAP3K5CSNK1DCSNK1E
SCHEMBL13498815 0.85 MAP3K5 (0.56) MAP3K5CSNK1DCSNK1E
SCHEMBL3486166 0.84 MAP3K5 (1.00) MAP3K5CLK1CLK2
SCHEMBL13498806 0.84 MAP3K5 (0.57) MAP3K5CSNK1DCSNK1E
SCHEMBL3487219 0.83 CSNK1D (0.56) MAP3K5CSNK1DCSNK1E
SCHEMBL13498813 0.83 MAP3K5 (0.56) MAP3K5CSNK1DCSNK1E
SCHEMBL3485613 0.83 MAP3K5 (0.70) MAP3K5CSNK1DCSNK1E
SCHEMBL12664439 0.81 CSNK1D (0.49) MAP3K5CLK1CLK2CSNK1DCSNK1E
SCHEMBL13498810 0.81 MAP3K5 (0.56) MAP3K5CSNK1DCSNK1E
SCHEMBL13498816 0.81 MAP3K5 (0.53) MAP3K5CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10251243-A None JP disclosed
US-8633356-B2 Method for controlling root parasitic plants RIKEN (JP) 2014-01-21 US disclosed
US-20100043101-A1 Method for controlling root parasitic plants RIKEN 2010-02-18 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
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
JP-H10251243-A PRODUCTION OF SORGOLACTONE AND ITS STEREOISOMER, SORGOLACTONE STEREOISOMER, TRICYCLIC LACTONE AND GERMINATION INDUCER KANEBO LTD 1998-09-22 JP 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 42/4885CLK1 2385/4885CLK2 2521/4885

“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.