SCHEMBL3486017

SCHEMBL3486017

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(NCc4cccnc4)ccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 12/20 0.57
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RET P07949 2/20 0.46
CDK2 P24941 2/20 0.46
GSK3B P49841 2/20 0.46
ITK Q08881 2/20 0.46
MERTK Q12866 2/20 0.46
PRKAA1 Q13131 2/20 0.46

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
SCHEMBL3486266 0.91 MAP3K5 (0.55) MAP3K5ALDH1A1LMNAMAPTHTT
SCHEMBL3485537 0.89 MAP3K5 (0.54) MAP3K5RETCDK2GSK3BITK
SCHEMBL3487045 0.82 MAP3K5 (0.51) MAP3K5ALDH1A1HTTMEN1KMT2A
SCHEMBL3485613 0.82 MAP3K5 (0.70) MAP3K5NAMPTNPC1RAB9A
SCHEMBL3486474 0.81 MAP3K5 (0.52) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486258 0.80 MAP3K5 (0.56) MAP3K5ALDH1A1LMNAMAPTHTT
SCHEMBL3486580 0.80 MAP3K5 (0.57) MAP3K5ALDH1A1LMNAMAPTHTT
SCHEMBL13498825 0.80 MAP3K5 (0.51) MAP3K5ALDH1A1LMNAMAPTHTT
SCHEMBL1523277 0.80 CDK2 (0.57) MAP3K5ALDH1A1LMNAMAPTHTT
SCHEMBL3486270 0.79 MAP3K5 (0.57) MAP3K5ALDH1A1LMNAMAPTHTT

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
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 42/4885ALDH1A1 794/4885LMNA 3564/4885

“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.